3-Bromopropionyl chloride

Base Information

• Chemical Name: 3-Bromopropionyl chloride
• CAS No.: 15486-96-1
• Deprecated CAS: 38587-74-5
• Molecular Formula: C3H4BrClO
• Molecular Weight: 171.421
• Hs Code.: 29159000
• European Community (EC) Number: 239-515-2
• DSSTox Substance ID: DTXSID3065900
• Nikkaji Number: J317.936B
• Wikidata: Q72511580
• Mol file: 15486-96-1.mol

Synonyms:3-Bromopropionyl chloride;15486-96-1;3-Bromopropanoyl chloride;Propanoyl chloride, 3-bromo-;3-bromopropanyl chloride;EINECS 239-515-2;3-bromoproionylchloride;3-bromopropanoylchloride;3-Bromopropionylchloride;3-bromo propionylchloride;3-bromopropionic chloride;3-bromopropionoyl chloride;3-bromo propionyl chloride;3-bromo-propanoyl chloride;3-bromo-propionyl chloride;beta-Bromopropionyl chloride;3-bromanylpropanoyl chloride;3-Bromopropanoyl chloride #;SCHEMBL34044;.beta.-Bromopropionyl chloride;3-bromopropionic acid chloride;DTXSID3065900;BCP20557;BBL011521;MFCD00000746;STL146637;AKOS005720747;AM90184;VS-02968;3-Bromopropionyl chloride, technical grade;B2065;D88890;EN300-132996;A809580;W-108026

Chemical Property of 3-Bromopropionyl chloride

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 2.86mmHg at 25°C
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 156.67 °C at 760 mmHg
• Flash Point: 55.418 °C
• PSA: 17.07000
• Density: 1.719 g/cm³
• LogP: 1.53680
• Storage Temp.: Refrigerator
• Sensitive.: Moisture Sensitive
• Water Solubility.: REACTS
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.91341
• Heavy Atom Count: 6
• Complexity: 54.8

Purity/Quality:

99.5% ^*data from raw suppliers

3-Bromopropionyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 23-26-27-36/37/39-45-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CBr)C(=O)Cl
• Uses: 3-Bromopropionyl chloride was used in the preparation of 1-chloro-4-bromo-2-butanone.

Technology Process of 3-Bromopropionyl chloride

There total 5 articles about 3-Bromopropionyl 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%

3-Bromopropionic acid (590-92-1) → 3-Bromopropionyl chloride (15486-96-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1142/S1088424610002185

Reference yield:

3-Brompropionsaeure-O-trimethylsilylester (18187-28-5) → 3-Bromopropionyl chloride (15486-96-1)

Guidance literature:

With thionyl chloride;

Reference yield:

→ 3-Bromopropionyl chloride (15486-96-1)

Guidance literature:

upstream raw materials:

3-Bromopropionic acid

3-Brompropionsaeure-O-trimethylsilylester

Downstream raw materials:

3-bromo-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

2-(dimethylamino)ethyl methacrylate

4'-methylphenyl 3-bromopropionate

3-bromo-1-(3,4-dimethoxyphenyl)propan-1-one

Refernces

• 1、 Li, Shengxia,Zhang, Qing. "The dielectric properties of low temperature thermally cross-linked polystyrene and poly(methyl methacrylate) thin films". . p. 28980 - 28984. Retrieved 2015.
• 2、 Hou, Xueling,Ge, Zemei,Wang, Tingmin,Guo, Wei,Cui, Jingrong,Cheng, Tieming,Lai, Chingshan,Li, Runtao. "Dithiocarbamic acid esters as anticancer agent. Part 1: 4-Substituted-piperazine-1-carbodithioic acid 3-cyano-3,3-diphenyl-propyl esters". . p. 4214 - 4219. Retrieved 2006.
• 3、 Zhang, Dapeng,Atochina-Vasserman, Elena N.,Maurya, Devendra S.,Liu, Matthew,Xiao, Qi,Lu, Juncheng,Lauri, George,Ona, Nathan,Reagan, Erin K.,Ni, Houping,Weissman, Drew,Percec, Virgil. "Targeted Delivery of mRNA with One-Component Ionizable Amphiphilic Janus Dendrimers". supporting information. p. 17975 - 17982. Retrieved 2021/11/10.
• 4、 ?tacková, Lenka,?tacko, Peter,Klán, Petr. "Approach to a Substituted Heptamethine Cyanine Chain by the Ring Opening of Zincke Salts". supporting information. p. 7155 - 7162. Retrieved 2019/05/10.