2-Bromo-2-methylpropanoyl chloride

Base Information

• Chemical Name: 2-Bromo-2-methylpropanoyl chloride
• CAS No.: 20469-89-0
• Molecular Formula: C4H6BrClO
• Molecular Weight: 185.448
• European Community (EC) Number: 822-715-4
• DSSTox Substance ID: DTXSID50455369
• Nikkaji Number: J578.946J
• Wikidata: Q82277331
• Mol file: 20469-89-0.mol

Synonyms:20469-89-0;2-bromo-2-methylpropanoyl chloride;2-Bromoisobutyrylchloride;Propanoyl chloride, 2-bromo-2-methyl-;alpha-bromoisobutyryl chloride;2-bromo-2-methylpropionyl chloride;bromoisobutyryl chloride;a-Bromoisobutyryl chloride;2-bromo-iso-butyryl chloride;SCHEMBL133530;a-Bromoisobutyric acid chloride;2-Bromoisobutyric acid chloride;DTXSID50455369;VUNWOWKGBXOBGY-UHFFFAOYSA-N;2-bromo-2-methyl-propionyl chloride;MFCD00060274;AKOS006271532;alpha-bromo-alpha-methylpropionic acid chloride;EN300-137718

Chemical Property of 2-Bromo-2-methylpropanoyl chloride

Chemical Property:

• Boiling Point: 149.338 °C at 760 mmHg
• Flash Point: 44.118 °C
• PSA: 17.07000
• Density: 1.595 g/cm³
• LogP: 1.92530
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.92906
• Heavy Atom Count: 7
• Complexity: 89.7

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-2-methylpropanoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)Cl)Br
• Uses: 2-Bromo-2-methylpropanoyl Chloride is used as a reactant in the study on synthesis and process optimization of photoinitiator MMMP.

Technology Process of 2-Bromo-2-methylpropanoyl chloride

There total 2 articles about 2-Bromo-2-methylpropanoyl 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: 100.0%

2-bromo-2-methylpropionic acid (2052-01-9) → 2-bromo-2-methylpropionyl chloride (20469-89-0)

Guidance literature:

With thionyl chloride; at 20 - 80 ℃; for 6h;

Reference yield:

isobutyryl chloride (79-30-1) → 2-bromo-2-methylpropionyl chloride (20469-89-0)

Guidance literature:

With bromine;

Reference yield: 99.0%

2-bromo-2-methylpropionyl chloride (20469-89-0) + ethylbenzene (100-41-4,27536-89-6) → 2-bromo-1-(4-ethylphenyl)-2-methyl-propan-1-one (698394-60-4)

Guidance literature:

2-bromo-2-methylpropionyl chloride; ethylbenzene; With aluminum (III) chloride; In tetrachloromethane; at -5 ℃; for 10h;

With hydrogenchloride; In tetrachloromethane; water; for 0.5h; Solvent;

upstream raw materials:

2-bromo-2-methylpropionic acid

isobutyryl chloride

Downstream raw materials:

2-bromo-2-methylpropionic acid methyl ester

4-(α-bromo-isobutyryl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

ethyl 2-bromoisobutyrate

N-(α-bromo-isobutyryl)-L-tyrosine ethyl ester

Refernces

• 1、 Xie, Shaowen,Sun, Yuan,Liu, Yulin,Li, Xinnan,Li, Xinuo,Zhong, Wenyi,Zhan, Feiyan,Zhu, Jingjie,Yao, Hong,Yang, Dong-Hua,Chen, Zhe-Sheng,Xu, Jinyi,Xu, Shengtao. "Development of Alectinib-Based PROTACs as Novel Potent Degraders of Anaplastic Lymphoma Kinase (ALK)". . p. 9120 - 9140. Retrieved 2021/07/20.
• 2、 -. "Method and using tracer charged ion channel". Paragraph 0245; 0247; 0248-0250. . Retrieved 2018/08/20.