2-Butyrylaminopropionic acid

Base Information

• Chemical Name: 2-Butyrylaminopropionic acid
• CAS No.: 59875-04-6
• Molecular Formula: C7H13NO3
• Molecular Weight: 159.185
• European Community (EC) Number: 611-909-2
• DSSTox Substance ID: DTXSID801045005
• Mol file: 59875-04-6.mol

Synonyms:59875-04-6;2-BUTYRYLAMINOPROPIONIC ACID;2-butyrylamino propionic acid;2-Butyramidopropanoic acid;55930-29-5;2-(butanoylamino)propanoic Acid;N-butyrylalanine;2-butyrylamino-propionic acid;2-Butyryl Amino Propionic Acid;(S)-2-Butyramidopropanoic acid;EC 611-909-2;N-(1-Oxobutyl)alanine;2-Butyrylaminopropinicacid;2-Butyrylaminopropionicacid;2-butyramido propionic acid;SCHEMBL5401;2-butyrylaminoPropanoic acid;DTIMTCJMOWXMGT-UHFFFAOYSA-N;DTXSID801045005;2-((Butanoyl)amino)propanoic acid;BCP25974;MFCD08458732;AKOS000153409;AKOS016050959;SB45407;AC-15631;WS-02148;FT-0698660;2-Butyrylamino-propionic acid (Butanoyl-DL-Ala-OH)

Chemical Property of 2-Butyrylaminopropionic acid

Chemical Property:

• Vapor Pressure: 1.5E-06mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 371.8 °C at 760 mmHg
• PKA: 3.69±0.10(Predicted)
• Flash Point: 178.7 °C
• PSA: 66.40000
• Density: 1.097 g/cm³
• LogP: 0.76670
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: DMSO, Methanol
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99.9% ^*data from raw suppliers

N-(1-Oxobutyl)-DL-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC(C)C(=O)O
• Uses: N-(1-Oxobutyl)-DL-alanine is a reactant used to prepare Vardenafil (V098001, 2HCl salt) which is a selective phosphodiesterase type 5 (PDE5) inhibitor.

Technology Process of 2-Butyrylaminopropionic acid

There total 3 articles about 2-Butyrylaminopropionic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

butyryl chloride (141-75-3) + rac-Ala-OH (302-72-7,25191-17-7,18875-37-1) → 2-butyrylaminopropionic acid (59875-04-6,136897-41-1)

Guidance literature:

rac-Ala-OH; With sodium hydroxide; In water; acetone;

butyryl chloride; In water; acetone; at 5 ℃; Cooling with ice-salt;

With hydrogenchloride; In water; pH=1.0;

Reference yield:

L-alanin (56-41-7,25191-17-7,18875-37-1) + butyryl chloride (141-75-3) → 2-butyrylaminopropionic acid (59875-04-6,136897-41-1)

Guidance literature:

With chloro-trimethyl-silane; triethylamine; In hydrogenchloride; sodium hydroxide; dichloromethane; water; acetone;

Reference yield:

→ 2-butyrylaminopropionic acid (59875-04-6,136897-41-1)

Guidance literature:

upstream raw materials:

butyryl chloride

rac-Ala-OH

L-alanin

Downstream raw materials:

4-(5-thioxo-5H-1,2-dithiol-3-yl)phenyl 2-(4-(4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[1,5-f][1,2,4]triazin-2-yl)phenylsulfonyl)piperazin-1-yl)acetate

2-(4-(4-ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[1,5-f][1,2,4]triazin-2-yl)phenylsulfonyl)piperazin-1-yl)acetic acid

C₂₅H₃₄N₆O₆S

4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonic acid chloride