[ CAS No. 76-84-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 76-84-6 * Storage: {[proInfo.prStorage]}

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}	Login		Inquiry

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 76-84-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 76-84-6 ]

SDS Specification

Alternatived Products of [ 76-84-6 ]

Product Details of [ 76-84-6 ]

CAS No. :	76-84-6	MDL No. :	MFCD00004445
Formula :	C₁₉H₁₆O	Boiling Point :	-
Linear Structure Formula :	OHC(C₆H₅)₃	InChI Key :	LZTRCELOJRDYMQ-UHFFFAOYSA-N
M.W :	260.33	Pubchem ID :	6457
Synonyms :	Triphenylmethyl alcohol;Triphenylmethanol	Chemical Name :	Triphenylmethanol

Calculated chemistry of [ 76-84-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.05
Num. rotatable bonds :	3
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	81.43
TPSA :	20.23 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.83
Log Po/w (XLOGP3) :	3.68
Log Po/w (WLOGP) :	3.86
Log Po/w (MLOGP) :	4.33
Log Po/w (SILICOS-IT) :	4.41
Consensus Log Po/w :	3.82

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.24
Solubility :	0.015 mg/ml ; 0.0000575 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.79
Solubility :	0.0418 mg/ml ; 0.00016 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-6.91
Solubility :	0.0000322 mg/ml ; 0.000000124 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.98

Safety of [ 76-84-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 76-84-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 76-84-6 ]
Downstream synthetic route of [ 76-84-6 ]

[ 76-84-6 ] Synthesis Path-Upstream 1~3

1
[ 76-84-6 ]
[ 70-47-3 ]
[ 132388-58-0 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 6, p. 739 - 742
[2] Organic Letters, 2002, vol. 4, # 21, p. 3767 - 3769
[3] Patent: WO2004/7427, 2004, A1, . Location in patent: Page 51-52

2
[ 76-84-6 ]
[ 132388-58-0 ]

Reference： [1] Tetrahedron Letters, 1991, vol. 32, # 6, p. 739 - 742

3
[ 2302-25-2 ]
[ 76-83-5 ]
[ 76-84-6 ]
[ 87941-55-7 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989, p. 95 - 99

[ 76-84-6 ] Synthesis Path-Downstream 1~9

1
[ 76-84-6 ]
[ 52-89-1 ]
[ 2799-07-7 ]

Yield	Reaction Conditions	Operation in experiment
98%		Triphenylmethanol (3.3 g, 12.7 mmol) was added to a solution of Cysteine chlorydrate (2 g, 12.7 mmol) in TFA (25 mL) and the mixture was stirred for 2 h. After cooling to 0 °C, NaOH 4N and diethyl ether (40 mL) were added until pH 4-5 and then 10percent sodium acetate aqueous solution was added until pH 5-6. The precipitated obtained was filtered, washed with fresh Et2O and finally dried to obtain the desired product (5 g, 98percent yield).1H NMR (DMSO): delta (ppm) 2.35-2.61 (m, 2H, CH2); 2.85-2.98 (m, 1H, CH); 7.2-7.45 (m, 15H, trityl-H).MALDI-TOF MS: m/z364.7 Da [M + H]+, C22H21NO2S, Mol. Wt.: 363.47.

Reference： [1]European Journal of Medicinal Chemistry,2012,vol. 50,p. 383 - 392
[2]Chemical Communications,2013,vol. 49,p. 10808 - 10810
[3]Journal of the Chemical Society C: Organic,1970,p. 2687
[4]Journal of Medicinal Chemistry,1970,vol. 13,p. 414 - 418
[5]Canadian Journal of Chemistry,1981,vol. 59,p. 406 - 421

2
[ 76-84-6 ]
N-acetyl-L-cysteine hydrochloride [ No CAS ]
[ 27486-87-9 ]

Reference： [1]Journal of Medicinal Chemistry,1970,vol. 13,p. 414 - 418

3
[ 76-84-6 ]
[ 15469-97-3 ]

Reference： [1]Arzneimittel-Forschung/Drug Research,1992,vol. 42,p. 832 - 835

4
[ 144690-92-6 ]
[ 76-84-6 ]
[ 144689-63-4 ]

Yield	Reaction Conditions	Operation in experiment
90%		A 250 round bottom flask was loaded with MTT (10 g), acetone/water (2/2 vol.), and 3 eq of H2SO4. The mixture was stirred at 40 C., and after 2-4 hrs, triphenyl carbinol (TPC) was precipitated by the addition of water and filtrated out. NaHCO3 was added to the filtrate and the mixture was cooled to room temperature and stirred for 1 hr. Crude olmesartan medoxomil was obtained as white crystals (90% yield).
73%	With water; In acetone; for 14h;Heating / reflux;Product distribution / selectivity;	Example 8; Olmesartan medoxomil (V); Water (10 g) was added to a solution of the starting substance (III; 20 g) in acetone (50 ml), and the mixture was heated to a mild boil for 14 h. After the reaction was completed, the mixture was cooled to 0 0C, and the formed trityl alcohol was sucked off. After concentration, a crude product was obtained, which was extracted with ethyl acetate (70 ml). After evaporating the extract and crystallizing from acetone, 10.6 g (76 %) of the product with an HPLC purity of 97.0 % was obtained. Recrystallization from ethyl methyl ketone gave 10.2 g (73 %) of the product with an HPLC purity of 99.3 %; m.p. 175-177 C.
71%	With water; In acetonitrile; for 14h;Heating / reflux;Product distribution / selectivity;	Example 7; Olmesartan medoxomil (V); Water (20 g) was added to a solution of the starting substance (III; 20 g) in acetonitrile (100 ml), and the mixture was heated to a mild boil for 14 h. After cooling, the formed trityl alcohol was sucked off, and the mixture was concentrated. After crystallization from isopropyl acetate, 10 g (71 %) of the product with an HPLC purity of 97 % was obtained. The HPLC purity of the product recrystallized from isopropanol was 99.5 %.

Reference： [1]Patent: US2006/149078,2006,A1 .Location in patent: Page/Page column 4-5
[2]Patent: WO2007/48361,2007,A1 .Location in patent: Page/Page column 12
[3]Patent: WO2007/48361,2007,A1 .Location in patent: Page/Page column 12

5
[ 288-32-4 ]
[ 76-84-6 ]
[ 15469-97-3 ]

Yield	Reaction Conditions	Operation in experiment
	In acetic acid;	EXAMPLE 1 N-(Triphenylmethyl)imidazole (2) A stirred suspension of triphenylmethanol (2.6 g, 10 mmol) and 1.36 g (20 mmol) of imidazole in 10 mL of HOAc was heated to 100° C. under N2 for 1 h. The cooled mixture was diluted with Et2 O and washed with water, saturated Na2 CO3, water (until neutral), brine, dried (MgSO4), filtered and concentrated. The crude product was purified by flash chromatography (110 g SiO2, 25percent-50percent EtOAc-hexanes) to give 0.78 g (25percent) of a solid. This was recrystallized from EtOAc to give 0.20 g of (2), m.p. 221°-223° C. IR (KBr) 1489, 1443, 1210, 1072, 750, 701, 662 cm-1. NMR (CDCl3): d 6.82, 7.07, 7.47 (all t, J=1, imidazole CH); 7.14 (m, 6H); 7.32 (m, 9H). Anal. Calc'd (C22 H18 N2): C, 85.13; H, 5.84; N, 9.03. Found: 85.16; 5.87; 9.02.

Reference： [1]Patent: US6051573,2000,A

6
[ 288-32-4 ]
[ 76-84-6 ]
[ 102-10-3 ]
[ 15469-97-3 ]

Yield	Reaction Conditions	Operation in experiment
82.7%	With pyridine; In acetonitrile;	EXAMPLE 11 Preparation of 1-triphenylmethylimidazole A mixture of pyridine (15 ml), diphenyl phosphite (2.34 g, 10 mmole), imidazole (0.68 g, 10 mmole) and triphenylmethanol (2.08 g, 8 mmole) was refluxed for 3 hours. Pyridine was removed under reduced pressure, and the residue was extracted with dichloromethane. The extract was washed with a 5percent aqueous hydroxide solution and water in order, dried and evaporated. Recrystallization of the residue (2.23 g) from acetonitrile gave 2.05 g of 1-triphenylmethylimidazole as colorless needles. Yield, 82.7percent. M.P., 221°-223° C. Elementary analysis: Calcd. for C22 H18 N2: C, 85.13percent; H, 5.85percent; N, 9.03percent. Found: C, 85.20percent; H, 6.03percent; N, 9.21percent.

Reference： [1]Patent: US4216333,1980,A

7
[ 76-84-6 ]
[ 52-90-4 ]
[ 2799-07-7 ]

Yield	Reaction Conditions	Operation in experiment
90%	With boron trifluoride diethyl etherate; acetic acid; at 20℃; for 5h;	To a solution of l-cysteine (1.0 g, 5.69 mmol) in acetic acid (15 mL) was added triphenyl methanol (1.64 g, 6.30 mmol), followed by adding trifluoroboron ethylether (720 muL, 5.69 mmol) dropwise and the reaction was stirred at room temperature. After 5 h, the reaction mixture was neutralized with saturated sodium acetate. The resulting precipitate was washed with ethylether and collected to give the desired compound 3 (1.87 g, 90percent) as a white solid. 1H NMR (300 MHz, acetone-d6): delta = 7.46-7.23 (m, 15H), 3.64 (dd, J = 8.10 Hz, 4.20 Hz, 1H), 2.67-2.52 (m, 2H). 13C NMR (75 MHz, DMSO-d6): delta = 169.89, 144.42, 129.25, 128.11, 126.78, 65.95, 53.64, 34.39. MALDI-TOF-MS: Calcd for C22H20NO2S 362.1. Found 362.1 [M-H]-.

Reference： [1]Bioorganic and Medicinal Chemistry,2012,vol. 20,p. 3465 - 3469

8
[ 108-86-1 ]
[ 76-84-6 ]
[ 3010-81-9 ]
[ 119-61-9 ]
[ 92-52-4 ]
[ 90-96-0 ]
[ 613-37-6 ]

Reference： [1]Journal of Organic Chemistry,2013,vol. 78,p. 1665 - 1669

9
[ 76-84-6 ]
[ 177991-01-4 ]

Reference： [1]Chemical Communications,2017,vol. 53,p. 10576 - 10579

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

? Appel Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Hydride Reductions ? Jones Oxidation ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions of Benzene and Substituted Benzenes ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Swern Oxidation

Historical Records

Similar Product of
[ 76-84-6 ]

A1267677[ 3881-15-0 ]

Triphenyl(methanol-13C)

Reason: Stable Isotope

Related Functional Groups of
[ 76-84-6 ]

Aryls

[ 599-67-7 ]

1,1-Diphenylethanol

Similarity: 1.00

[ 6301-54-8 ]

2-(Naphthalen-1-yl)propan-2-ol

Similarity: 0.94

[ 91-01-0 ]

Diphenylmethanol

Similarity: 0.93

[ 62668-02-4 ]

(E)-1,3-Diphenylprop-2-en-1-ol

Similarity: 0.90

[ 5558-04-3 ]

1-Cyclopropyl-1-phenylethanol

Similarity: 0.88

Alcohols