3-(Benzylamino)-3-methylbutanoic Acid

Base Information

• Chemical Name: 3-(Benzylamino)-3-methylbutanoic Acid
• CAS No.: 113479-11-1
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID50456593
• Nikkaji Number: J703.605A
• Mol file: 113479-11-1.mol

Synonyms:3-(Benzylamino)-3-methylbutanoic Acid;113479-11-1;3-(Benzylamino)-3-methylbutanoicAcid;Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-;MFCD18375304;SCHEMBL5066698;DTXSID50456593;DHXNGBMVPJHMBV-UHFFFAOYSA-N;3-benzylamino-3-methylbutanoic acid;AMY20224;3-Benzylamino-3-methyl-butyric acid;AKOS015902520;3-Methyl-3-(benzylamino)butanoic acid;AS-32344;SY012563;CS-0318789;FT-0727000;A894364

Chemical Property of 3-(Benzylamino)-3-methylbutanoic Acid

Chemical Property:

• PSA: 49.33000
• LogP: 2.42040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

3-(Benzylamino)-3-methylbutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC(=O)O)NCC1=CC=CC=C1

Technology Process of 3-(Benzylamino)-3-methylbutanoic Acid

There total 1 articles about 3-(Benzylamino)-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: 53.0%

3-Methylbutenoic acid (541-47-9) + benzylamine (100-46-9) → 3-benzylamino-3,3-dimethylpropionic acid (113479-11-1)

Guidance literature:

In pyridine; at 120 - 130 ℃; for 24h;

DOI:10.3987/COM-95-S97

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: 97.0%

3-benzylamino-3,3-dimethylpropionic acid (113479-11-1) → 1-benzyl-4,4-dimethylazetidine-2-one (85390-54-1)

Guidance literature:

With 3,3'-(phenylphosphoryl)-bis(1,3-thiazolidine-2-thione); N-ethyl-N,N-diisopropylamine; In acetonitrile; for 1h; Heating;

DOI:10.3987/COM-95-S97

upstream raw materials:

3-Methylbutenoic acid

benzylamine

Downstream raw materials:

1-benzyl-4,4-dimethylazetidine-2-one

3-amino-3-methylbutanoic acid

3-Benzylamino-3-methyl-butan-1-ol

Refernces

• 1、 -. "COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV". Page/Page column 12. . Retrieved 2010/02/14.