3-Benzamido-3-methylbutanoic acid

Base Information

• Chemical Name: 3-Benzamido-3-methylbutanoic acid
• CAS No.: 17207-42-0
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• NSC Number: 192723
• DSSTox Substance ID: DTXSID30307559
• Wikidata: Q82054993
• Mol file: 17207-42-0.mol

Synonyms:17207-42-0;3-benzamido-3-methylbutanoic acid;NSC192723;SCHEMBL3025327;DTXSID30307559;AKOS013998323;NSC-192723

Chemical Property of 3-Benzamido-3-methylbutanoic acid

Chemical Property:

• Vapor Pressure: 3.66E-09mmHg at 25°C
• Boiling Point: 457.5°C at 760 mmHg
• Flash Point: 230.5°C
• Density: 1.161g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Benzamido-3-methylbutanoic acid

There total 8 articles about 3-Benzamido-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:

3-amino-3-methylbutanoic acid (625-05-8) + benzoyl chloride (98-88-4) → 3-benzoylamino-3-methylbutanoic acid (17207-42-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9490000345

Reference yield:

ethyl 3-hydroxy-3-methylbutanoate (18267-36-2) + benzonitrile (100-47-0) → 3-benzoylamino-3-methylbutanoic acid (17207-42-0)

Guidance literature:

With sulfuric acid; anschliessend Behandeln mit Wasser und Erhitzen des Reaktionsprodukts mit wss.-aethanol. Kalilauge;

DOI:10.1021/ja01180a076

Reference yield:

3-Methylbutenoic acid (541-47-9) + benzonitrile (100-47-0) → 3-benzoylamino-3-methylbutanoic acid (17207-42-0)

Guidance literature:

With sulfuric acid; anschliessend Behandeln mit Wasser;

DOI:10.1021/ja01180a076

upstream raw materials:

N-(1,1-dimethyl-3-oxobutyl)benzamide

3-amino-3-methylbutanoic acid

benzoyl chloride

ethyl 3-hydroxy-3-methylbutanoate

Downstream raw materials:

N-(4-((3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl)-2-methyl-4-oxobutan-2-yl)cyclopentanecarboxamide

N-(4-(3,3-dimethyl-4-oxopiperidin-1-yl)-2-methyl-4-oxobtutan-2-yl)benzamide

3-methyl-crotonaldehyde-(2,4-dinitro-phenylhydrazone)

N-{3-[(2,4-Dinitro-phenyl)-hydrazono]-1,1-dimethyl-propyl}-benzamide