3-(BROMOMETHYL)PHENYL ACETATE

Base Information

• Chemical Name: 3-(BROMOMETHYL)PHENYL ACETATE
• CAS No.: 49617-80-3
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 2915390090
• Mol file: 49617-80-3.mol

Synonyms:3-bromomethyl-phenyl acetate;3-acetoxybenzyl bromide;

Chemical Property of 3-(BROMOMETHYL)PHENYL ACETATE

Chemical Property:

• PSA: 57.53000
• LogP: 2.37800
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• Sensitive.: Lachrymatory

Purity/Quality:

≥99.0% ^*data from raw suppliers

3-(Bromomethyl)phenylAcetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(BROMOMETHYL)PHENYL ACETATE

There total 7 articles about 3-(BROMOMETHYL)PHENYL ACETATE 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: 93.9%

acetic anhydride (108-24-7) + m-hydroxybenzyl bromide (74597-04-9) → m-(bromomethyl)phenyl acetate (49617-80-3)

Guidance literature:

With sulfuric acid; In dichloromethane; at 0 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/jm5001453

Reference yield: 68.0%

3-(hydroxymethyl)phenyl acetate (78957-20-7) → m-(bromomethyl)phenyl acetate (49617-80-3)

Guidance literature:

With phosphorus tribromide; In toluene; for 1.5h;

DOI:10.1016/S0040-4020(00)00179-4

Reference yield: 58.0%

3-acetoxytoluene (122-46-3) → m-(bromomethyl)phenyl acetate (49617-80-3)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 16h; Irradiation;

DOI:10.1021/jo00138a012

upstream raw materials:

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione

3-acetoxytoluene

3-(hydroxymethyl)phenyl acetate

3-Hydroxybenzyl alcohol

Downstream raw materials:

acetic acid-(3-piperidinomethyl-phenyl ester)

N-(3-hydroxyphenyl)methyl-bis-(2-picolyl)amine

3-(azidomethyl)phenyl acetate

methyl 1-(3-acetoxybenzyl)-1H-1,2,3-triazole-4-carboxylate

Refernces

• 1、 Baek, Dong Jae,Ki, Sung Hwan,Kim, Sang-Bum,Kim, Sanghee,Kim, Su Bin,Kwon, Yongseok,Lee, Joo-Youn,Lee, Taeho,Moon, Hong Seop,Oh, Yoon Sin,Park, Eun-Young,Park, Jeong-Eun. "Verification of the necessity of the tolyl group of PF-543 for sphingosine kinase 1 inhibitory activity". . . Retrieved 2020/06/17.
• 2、 Bai, Suping,Li, Shihong,Xu, Jinbin,Peng, Xin,Sai, Kiran,Chu, Wenhua,Tu, Zhude,Zeng, Chenbo,Mach, Robert H.. "Synthesis and structure-activity relationship studies of conformationally flexible tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues as σ2 receptor ligands". supporting information. p. 4239 - 4251. Retrieved 2014/06/09.