Acetic acid, bromo-, diphenylmethyl ester

Base Information

• Chemical Name: Acetic acid, bromo-, diphenylmethyl ester
• CAS No.: 79287-72-2
• Molecular Formula: C15H13BrO2
• Molecular Weight: 305.171
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID00456346
• Nikkaji Number: J3.314.830E
• Wikidata: Q82278752
• Mol file: 79287-72-2.mol

Synonyms:Benzhydryl 2-bromoacetate;79287-72-2;Acetic acid, bromo-, diphenylmethyl ester;diphenylmethyl bromoacetate;benzhydryl bromoacetate;Benzhydryl2-bromoacetate;SCHEMBL2159876;Bromoacetic acid benzhydryl ester;DTXSID00456346;AGTMRRKTQGJHHW-UHFFFAOYSA-N;Bromo-acetic acid benzhydryl ester;MFCD22199741;AKOS017344634

Chemical Property of Acetic acid, bromo-, diphenylmethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.71410
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 304.00989
• Heavy Atom Count: 18
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)CBr

Technology Process of Acetic acid, bromo-, diphenylmethyl ester

There total 3 articles about Acetic acid, bromo-, diphenylmethyl ester 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:

1,1-Diphenylmethanol (91-01-0) + 2-Bromoacetyl bromide (598-21-0) → diphenylmethyl bromoacetate (79287-72-2)

Guidance literature:

With pyridine; In dichloromethane;

DOI:10.1016/S0040-4020(96)01093-9

Reference yield:

1,1-Diphenylmethanol (91-01-0) + bromoacetic acid (79-08-3) → diphenylmethyl bromoacetate (79287-72-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 110.8 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b01482

Reference yield:

benzophenone hydrazone (5350-57-2) → diphenylmethyl bromoacetate (79287-72-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂SO₄, HgO, ethanolic KOH / diethyl ether / 1.25 h

2: acetone / 0 °C

With potassium hydroxide; sodium sulfate; mercury(II) oxide; In diethyl ether; acetone;

DOI:10.1016/0008-6215(95)00329-0

upstream raw materials:

1,1-Diphenylmethanol

2-Bromoacetyl bromide

benzophenone hydrazone

bromoacetic acid

Downstream raw materials:

(2R,4S)-4-Benzhydryloxycarbonylmethyl-4-benzyl-5-oxo-2-phenyl-oxazolidine-3-carboxylic acid benzyl ester

1-diphenylmethoxycarbonylmethyl-2-pyridone

2-((2R,3R)-2-Mercapto-4-oxo-3-phenylacetylamino-azetidin-1-yl)-malonic acid monobenzhydryl ester

2-<3-benzyl-6-oxo-2-thia-4,7-diaza-(1R,5R)-bicyclo-<3.2.0>-hept-3-en-7-yl>-mono-benzhydryl malonate

Refernces

• 1、 Li, Jingjing,Lian, Pengcheng,Wan, Xiaobing,Wang, Hanghang,Zheng, Yonggao. "Cross coupling of sulfonyl radicals with silver-based carbenes: A simple approach to β-carbonyl arylsulfones". supporting information. p. 2163 - 2169. Retrieved 2020/03/27.
• 2、 Huang, Zhusheng,Yang, Xiuqin,Yang, Fulai,Lu, Tao,Zhou, Qingfa. "Phosphine-Catalyzed Domino β/γ-Additions of Benzofuranones with Allenoates: A Method for Unsymmetrical 3,3-Disubstituted Benzofuranones". supporting information. p. 3524 - 3527. Retrieved 2017/07/17.