4-CHLOROBUTYL BENZOATE

Base Information

• Chemical Name: 4-CHLOROBUTYL BENZOATE
• CAS No.: 946-02-1
• Molecular Formula: C11H13 Cl O2
• Molecular Weight: 212.676
• Hs Code.: 2916310090
• Mol file: 946-02-1.mol

Synonyms:1-Butanol,4-chloro-, benzoate (6CI,7CI,8CI,9CI); 4-Chlorobutyl benzoate; NSC 118972; d-Chlorobutyl benzoate

Chemical Property of 4-CHLOROBUTYL BENZOATE

Chemical Property:

• Vapor Pressure: 0.000874mmHg at 25°C
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 304.4°Cat760mmHg
• Flash Point: 148.4°C
• PSA: 26.30000
• Density: 1.129g/cm³
• LogP: 2.86240

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chlorobutyl benzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-CHLOROBUTYL BENZOATE

There total 23 articles about 4-CHLOROBUTYL BENZOATE 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: 99.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + benzoyl chloride (98-88-4) → 4-chlorobutyl benzoate (946-02-1)

Guidance literature:

With yttrium(III) chloride; at 65 ℃; for 18h;

DOI:10.1016/0022-328X(91)86041-N

Reference yield: 95.0%

bis-(4-chlorobutyl)ether (6334-96-9) + benzoyl chloride (98-88-4) → 4-chlorobutyl benzoate (946-02-1) + 1,4-dichlorobutane (110-56-5)

Guidance literature:

With molybdenum(V) chloride; In 1,2-dichloro-ethane; at 80 ℃; for 24h;

DOI:10.1016/S0040-4020(02)00738-X

Reference yield: 89.0%

benzoyl chloride (98-88-4) + 1,4-dichlorobutane (110-56-5) → 4-chlorobutyl benzoate (946-02-1)

Guidance literature:

With dmap; caesium carbonate; at 50 ℃; for 24h;

DOI:10.1021/acs.orglett.5b02479

upstream raw materials:

tetrahydrofuran

benzoyl chloride

(E)-3-Ureido-but-2-enoic acid ethyl ester

benzoic acid

Downstream raw materials:

Benzoic acid 4-benzenesulfonyl-butyl ester

4-phenyl-butan-1-ol

δ-cyanobutyl benzoate

4-azidobutyl benzoate

Refernces

• 1、 Tang, Yuqi,Feng, Chengliang,Yang, Wanfeng,Ji, Min,Wang, Wei,Chen, Junqing. "Synthesis of chloroesters by the reaction of ethers with acyl chlorides catalyzed by ZnO". . p. 1 - 8. Retrieved 2020/07/13.
• 2、 Barbosa-Filho, José M.,Brandao, Maria C. R.,De Athayde-Filho, Petr?nio F.,Dutra, Thalisson F.,Lima, Edeltrudes O.,Lira, Bruno F.,Neto, Hermes Diniz,Trindade, Emmely O.. "Synthesis, in silico study and antimicrobial activity of new piperine derivatives containing substituted δ-esters". . p. 2590 - 2602. Retrieved 2020/11/18.