4-phenylbutanoyl chloride

Base Information

• Chemical Name: 4-phenylbutanoyl chloride
• CAS No.: 464917-79-1
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• Hs Code.: 2922499990
• Mol file: 464917-79-1.mol

Synonyms:AKOS BBS-00004086; 4-phenyl butyryl chloride; 4-phenylbutanoyl chloride

Chemical Property of 4-phenylbutanoyl chloride

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 262.623°C at 760 mmHg
• PKA: 5.28±0.70(Predicted)
• Flash Point: 115.354°C
• PSA: 52.32000
• Density: 1.115g/cm³
• LogP: 2.29260

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): R34:
• Hazard Codes: R34:
• Statements: R34:
• Safety Statements: S26-36/37/39-45:

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-phenylbutanoyl chloride

There total 3 articles about 4-phenylbutanoyl chloride 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: 90.0%

benzyl acetoacetate (5396-89-4) → β-aminocrotonic acid benzyl ester (464917-79-1)

Guidance literature:

With ammonium acetate; In methanol; at 20 ℃; for 72h;

Reference yield: 68.0%

→ β-aminocrotonic acid benzyl ester (464917-79-1)

Guidance literature:

With ammonium bicarbonate; In methanol; at 20 ℃;

Reference yield:

→ n-butyl 3-amino-2-butenthioate + β-aminocrotonic acid benzyl ester (464917-79-1)

Guidance literature:

upstream raw materials:

benzyl acetoacetate

Downstream raw materials:

3-benzyl 5-ethyl 6-(chloromethyl)-4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate

3-(2-cyanoethoxycarbonyl)-5-(benzyloxycarbonyl)-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)pyridine

Refernces

• 1、 Vellalath, Sreekumar,Van, Khoi N.,Romo, Daniel. "Direct catalytic asymmetric synthesis of N-heterocycles from commodity acid chlorides by employing α,β-unsaturated acylammonium salts". supporting information. p. 13688 - 13693. Retrieved 2014/01/06.
• 2、 -. "Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods". Page/Page column 35-36. . Retrieved 2008/06/13.