3-Amino-3-methylbutanoic acid

Base Information

• Chemical Name: 3-Amino-3-methylbutanoic acid
• CAS No.: 625-05-8
• Molecular Formula: C5H11NO2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• European Community (EC) Number: 639-274-7
• DSSTox Substance ID: DTXSID40375421
• Nikkaji Number: J79.764B
• Mol file: 625-05-8.mol

Synonyms:3-amino-3-methylbutanoic acid;625-05-8;3-Amino-3-methylbutyric acid;3-Amino-3-methyl-butyric acid;Butanoic acid, 3-amino-3-methyl-;MFCD06245495;3-Amino-3-methyl-butyricacid;beta-valine;3-amino-3-methyl butanoic acid;a-aminoisovaleric acid;ss-Aminoisovaleriansaure;SCHEMBL84219;3-amino-3-methylbutanoicacid;3-azanyl-3-methyl-butanoic acid;DTXSID40375421;NFQAIWOMJQWGSS-UHFFFAOYSA-N;AKOS006229820;CS-W004865;GS-4159;SB37988;SY013584;AM20100529;FT-0648657;EN300-77349;A824226;A852033;J-511589

Chemical Property of 3-Amino-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Melting Point: 232-233 °C
• Refractive Index: 1.466
• Boiling Point: 220.67 °C at 760 mmHg
• PKA: 3.69±0.14(Predicted)
• Flash Point: 87.259 °C
• PSA: 63.32000
• Density: 1.071 g/cm³
• LogP: 0.89870
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Water (Slightly)
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-3-methylbutanoicAcid,90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC(=O)O)N
• Uses: 3-Amino-3-methylbutanoic Acid acts as a reagent in the preparation of arylsulfonyl methylbutanamides of cycloalkylamines, particularly adamantylamines, as selective inhibitors of human and murine 11β-hydroxysteroid dehydrogenase type 1. Synthesis of acetylcholine and carbamoylcholine analogs as a functionally selective α4β2 nicotinic acetylcholine receptor agonist. Phenamide preparation by coupling reaction.

Technology Process of 3-Amino-3-methylbutanoic acid

There total 18 articles about 3-Amino-3-methylbutanoic 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: 100.0%

3-benzylamino-3,3-dimethylpropionic acid (113479-11-1) → 3-amino-3-methylbutanoic acid (625-05-8)

Guidance literature:

With hydrogenchloride; hydrogen; acetic acid; 5%-palladium/activated carbon; In ethanol; water; at 50 ℃; for 5h;

Reference yield: 75.0%

1-(benzyloxycarbonyl)-3-(1'-phenyleth-1'-yl)-6,6-dimethylperihydropyrimidin-4-one (138261-28-6) → 3-amino-3-methylbutanoic acid (625-05-8)

Guidance literature:

With hydrogenchloride; In methanol; for 24h; Heating;

DOI:10.1021/jo00030a010

Reference yield: 42.0%

3-Methylbutenoic acid (541-47-9) → 3-amino-3-methylbutanoic acid (625-05-8)

Guidance literature:

With ammonium hydroxide; In water; at 150 ℃; for 16h; under 36200.4 Torr;

DOI:10.1515/znb-1983-0919

upstream raw materials:

3-Methylbutenoic acid

3-methyl-3-nitrobutanoic acid

4,4-dimethyl-azetidin-2-one

Sodium; 3-amino-3-methyl-butyrate

Downstream raw materials:

3-benzoylamino-3-methylbutanoic acid

β-glycylamino-isovaleric acid

C₁₁H₂₇NO₂Si₂

N-<2-Hydroxy-1.3-dioxo-2.3-dihydro-phenalenyl-(2)>-β-aminoisovaleriansaeure

Refernces

• 1、 Rodriguez, Isabel,Calaza, M. Isabel,Cativiela, Carlos. "Synthesis of racemic δ,δ-dimethylproline derivatives". . p. 1093 - 1099. Retrieved 2013/03/28.
• 2、 Francavilla, Charles,Low, Eddy,Nair, Satheesh,Kim, Bum,Shiau, Timothy P.,Debabov, Dmitri,Celeri, Chris,Alvarez, Nichole,Houchin, Ashley,Xu, Ping,Najafi, Ron,Jain, Rakesh. "Quaternary ammonium N,N-dichloroamines as topical, antimicrobial agents". scheme or table. p. 2731 - 2734. Retrieved 2010/03/03.