成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 56-12-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 56-12-2
Chemical Structure| 56-12-2
Structure of 56-12-2 * Storage: {[proInfo.prStorage]}

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]}

Quality Control of [ 56-12-2 ]

Related Doc. of [ 56-12-2 ]

Alternatived Products of [ 56-12-2 ]
Product Citations

Product Details of [ 56-12-2 ]

CAS No. :56-12-2 MDL No. :MFCD00008226
Formula : C4H9NO2 Boiling Point : -
Linear Structure Formula :H2N(CH2)3CO2H InChI Key :BTCSSZJGUNDROE-UHFFFAOYSA-N
M.W : 103.12 Pubchem ID :119
Synonyms :
4-Aminobutyric acid;GABA;Mielomade;Mielogen;DF 468;Aminalon;Piperidic acid;Gamma-aminobutyric acid;4-Aminobutanoic acid
Chemical Name :4-Aminobutyric acid

Calculated chemistry of [ 56-12-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 25.82
TPSA : 63.32 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.72
Log Po/w (XLOGP3) : -3.17
Log Po/w (WLOGP) : -0.19
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.56
Consensus Log Po/w : -0.72

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.72
Solubility : 5360.0 mg/ml ; 52.0 mol/l
Class : Highly soluble
Log S (Ali) : 2.41
Solubility : 26400.0 mg/ml ; 256.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.04
Solubility : 95.1 mg/ml ; 0.923 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 56-12-2 ]

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 [ 56-12-2 ]

* 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.

  • Downstream synthetic route of [ 56-12-2 ]

[ 56-12-2 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 6937-16-2 ]
  • [ 13031-62-4 ]
  • [ 56-12-2 ]
  • 2
  • [ 1184-90-3 ]
  • [ 56-12-2 ]
  • [ 463-00-3 ]
  • 3
  • [ 284043-12-5 ]
  • [ 2478-38-8 ]
  • [ 90426-22-5 ]
  • [ 56-12-2 ]
  • 4
  • [ 42926-52-3 ]
  • [ 56-12-2 ]
  • 4-(2-ethoxy-benzoylamino)-butyric acid [ No CAS ]
  • 5
  • [ 51146-57-7 ]
  • [ 56-12-2 ]
  • 4-[(R)-2-(4-Isobutyl-phenyl)-propionylamino]-butyric acid [ No CAS ]
  • 6
  • [ 6492-86-0 ]
  • [ 56-12-2 ]
  • [ 1022899-87-1 ]
  • 7
  • [ 17329-87-2 ]
  • [ 56-12-2 ]
  • [ 1154943-29-9 ]
YieldReaction ConditionsOperation in experiment
66% With triethylamine; In ethanol;Reflux; General procedure: 4-Amino butanoic acid (GABA) was dissolved in ethyl alcohol followed by addition of II (i-xi) (0.01 M) and triethylamine (0.01 mol). The reaction mixture was refluxed for 6-7 h. The reaction mixture was poured on crushed ice. The resulting solid was separated, dried, and recrystallized from ethanol.
  • 8
  • [ 1455091-10-7 ]
  • [ 56-12-2 ]
  • [ 1455086-92-6 ]
YieldReaction ConditionsOperation in experiment
94% With sodium methylate; In methanol;Reflux; A mixture of 4-hydroxy-7-phenoxy-isoquinoline-3-carboxylic acid methyl ester (100 mg, 0.34 mmol) and 4-aminobutyric acid (525 mg, 5.1 mmol) in 0.5 N NaOMe in MeOH solution (6.8 mL, 3.4 mmol) was heated to reflux overnight. Reaction mixture was diluted with water (100 mL) and acidified by 1 N HC1 solution to pH = 3-4. Precipitate was collected and rinsed with water. It was dried in vacuo to provide the title compound (117 mg, 0.32mmol) in 94% yield. LC-MS ESI-: 365.05 (M-l)
  • 9
  • [ 133081-26-2 ]
  • [ 56-12-2 ]
  • 4-[6-(N'-tert-butoxycarbonylhydrazino)pyridine-3-carbonyl]amino}butyric acid [ No CAS ]
  • 10
  • [ 1426827-79-3 ]
  • [ 56-12-2 ]
  • 4-((((1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-ylmethoxy)carbonyl)amino)butanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
76% With triethylamine; In tetrahydrofuran; water; for 4h; To a solution of BCN-OSu (1 .00 g, 3.43 mmol) in a mixture of THF and water (80 mL/80 mL) were added γ-aminobutyric acid (0.60 g, 5.12 mmol) and Et3N (1.43 mL, 1.04 g, 10.2 mmol). The mixture was stirred for 4 h followed by addition of DCM (200 mL) and a saturated aqueous solution of NhUCI (80 mL). After separation, the aqueous layer was extracted with DCM (2x200 mL). The combined organic layers were dried (Na2S04) and concentrated. The residue was purified with column chromatography (MeOH in DCM 0→ 10%). The product was obtained as a colourless thick oil (730 mg, 2.61 mmol, 76%). NMR (400 MHz, CDCI3) δ (ppm) 4.81 (bs, 1 H), 4.15 (d, J = 8.4 Hz, 2H), 3.30-3.21 (m, 2H), 2.42 (t, J = 7.2 Hz, 2H), 2.35-2.16 (m, 6H), 1.85 (quintet, J = 6.9 Hz, 2H), 1.64- 1.51 (m, 2H), 1.35 (quintet, J = 8.4 Hz, 1 H), 1.00-0.90 (m, 2H)
  • 11
  • [ 51108-29-3 ]
  • [ 56-12-2 ]
  • C12H10FNO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With acetic acid; for 3h; General procedure: Phthalic anhydride or its derivatives (2.0 mmol) and 4-aminobutyric acid (2.0 mmol) were added to glacial acetic acid (10 mL) and heated to 100 C for 3 h. The reaction was quenched with water (10 mL) and was adjusted to pH 6-8 with NaOH (0.1 mol/L). The mixture was extracted with dichloromethane (10 mL × 3), and the organic layer was washed with aq. NaHCO3, and water and then evaporated to afford intermediate.
  • 12
  • [ 117-21-5 ]
  • [ 56-12-2 ]
  • C12H10ClNO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
95.5% With acetic acid; at 100℃; for 3h; 3-Chlorophthalic anhydride (365 mg, 2.0 mmol) and 4-aminobutyric acid (190 mg, 2.1 mmol) were added to glacial acetic acid (10 mL) and heated to 100 C for 3 h.The reaction was quenched with water (10 mL), NaOH solution (0.1 mol/L)The pH of the solution was adjusted to 6-8. filter,After drying, it was 444 mg of a yellow solid.LC-MS and 1 H-NMR confirmed the expected intermediate compound, yield 95.5%.
  • 13
  • [ 32703-79-0 ]
  • [ 56-12-2 ]
  • C16H19NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
87.5% With acetic acid; at 100℃; for 3h; 4-Isobutylphthalic anhydride (500 mg, 2.45 mmol) and 4-aminobutyric acid (260 mg, 2.5 mmol) were added to glacial acetic acid (10 mL), and the mixture was heated to 100 C for 3 h. The reaction was quenched with water (10 mL) and the NaOH solution (0.1 mol/L) was adjusted to pH 6-8. Dichloromethane extraction (10mL × 3), washed with saturated NaHCO3 solution, washed with water, combined with organic phase, dried over anhydrous sodium sulfateDry and dry, 640mg of yellow solid,LC-MS and 1 H-NMR confirmed the expected intermediate compound, yield 87.5%.
  • 14
  • [ 56-12-2 ]
  • [ 119389-05-8 ]
  • C20H15NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
91.2% With acetic acid; at 100℃; for 3h; 4-Alkyne phenyl phthalic anhydride (500 mg, 2.0 mmol) and 4-aminobutyric acid (206 mg, 2.0 mmol) were added to glacial acetic acid (10 mL) and heated to 100 C for 3 h.The reaction was quenched with water (10 mL) and the NaOH solution (0.1 mol/L) was adjusted to pH 6-8.Dichloromethane extraction (10mL × 3), washed with saturated NaHCO3 solution, washed with water,The organic phases were combined and dried over anhydrous sodium sulfate.After drying, 608 mg of a yellow solid was obtained.LC-MS and 1 H-NMR confirmed the expected intermediate compound in a yield of 91.2%.
  • 15
  • [ 652-40-4 ]
  • [ 56-12-2 ]
  • C12H9F2NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
72.6% With acetic acid; at 100℃; for 3h; 3,6-Difluorophthalic anhydride (368 mg, 2.0 mmol) and 4-aminobutyric acid (210 mg, 2.0 mmol) were added to glacial acetic acid (10 mL) and heated to 100 C for 3 h.The reaction was quenched with water (10 mL) and the NaOH solution (0.1 mol/L) was adjusted to pH 6-8.Dichloromethane extraction (10 mL × 3), washed with saturated NaHCO3 solution, washed with waterAfter drying, a yellow solid 365 mg was obtained.LC-MS and 1H-NMR confirmed the expected intermediate compound, yield72.6%.
Recommend Products
Same Skeleton Products
Historical Records

Similar Product of
[ 56-12-2 ]

Chemical Structure| 58485-43-1

A1230105[ 58485-43-1 ]

4-Aminobutyric acid-15N

Reason: Stable Isotope

; ;