(3R)-3-azaniumylbutanoate

Base Information

• Chemical Name: (3R)-3-azaniumylbutanoate
• CAS No.: 3775-73-3
• Molecular Formula: C4H9NO2
• Molecular Weight: 103.121
• Hs Code.: 2922499990
• Mol file: 3775-73-3.mol

Synonyms:

Chemical Property of (3R)-3-azaniumylbutanoate

Chemical Property:

• Melting Point: 215-216 °C
• Boiling Point: 223.6 °C at 760 mmHg
• PKA: 3.67±0.12(Predicted)
• Flash Point: 89 °C
• PSA: 63.32000
• Density: 1.105 g/cm³
• LogP: 0.50860
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Methanol (Slightly), Water (Slightly, Sonicated)
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 66.6

Purity/Quality:

99.00% ^*data from raw suppliers

(R)-3-AminobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)[O-])[NH3+]
• Isomeric SMILES: C[C@H](CC(=O)[O-])[NH3+]
• Uses: (R)-3-Aminobutanoic Acid is used in preparation of fused ring Pyrimidone derivatives for use in the treatment of HBV infection or of HBV-induced. diseases

Technology Process of (3R)-3-azaniumylbutanoate

There total 23 articles about (3R)-3-azaniumylbutanoate 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: 97.0%

tert-butyl (R)-3-amino-3-methyl-propionate (120686-16-0,158849-23-1) → (R)-3-aminobutanoic acid (3775-73-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 15h;

DOI:10.1016/j.tetasy.2007.06.008

Reference yield: 95.0%

(R)-3-benzamidobutanoic acid ethyl ester → (R)-3-aminobutanoic acid (3775-73-3)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux;

Reference yield: 94.0%

(R)-3-(dibenzylamino)butanoic acid (132540-67-1) → (R)-3-aminobutanoic acid (3775-73-3)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; for 3h; Ambient temperature;

upstream raw materials:

(S)-3-amino-4-methylsulfanyl-butyric acid

(R)-3-(((benzyloxy)carbonyl)amino)butanoic acid

benzyl (3R,αR)-3-(N-benzyl-N-α-methylbenzylamino)butanoate

(R)-3-(dibenzylamino)butanoic acid

Downstream raw materials:

tert-butyl (R)-3-amino-3-methyl-propionate

(R)-3-amino-1-butanol

(R)-3-aminobutanoic acid methyl ester hydrochloride

(R)-3-((tert-butoxycarbonyl)amino)butanoic acid

Refernces

• 1、 Vogel, Andreas,Schmiedel, Ramona,Hofmann, Ute,Gruber, Karl,Zangger, Klaus. "Converting aspartase into a β-amino acid lyase by cluster screening". . p. 965 - 968. Retrieved 2014.
• 2、 Lombe, Blaise Kimbadi,Bruhn, Torsten,Feineis, Doris,Mudogo, Virima,Brun, Reto,Bringmann, Gerhard. "Cyclombandakamines A1 and A2, Oxygen-Bridged Naphthylisoquinoline Dimers from a Congolese Ancistrocladus Liana". supporting information. p. 1342 - 1345. Retrieved 2017/03/23.
• 3、 M?enp??, Harri,Kanerva, Liisa T.,Liljeblad, Arto. "Acylation of β-Amino Esters and Hydrolysis of β-Amido Esters: Candida antarctica Lipase A as a Chemoselective Deprotection Catalyst". . p. 1226 - 1232. Retrieved 2016/04/05.