Propanoic acid, 3,3-dichloro-2,2-dimethyl-

Base Information

• Chemical Name: Propanoic acid, 3,3-dichloro-2,2-dimethyl-
• CAS No.: 64855-18-1
• Molecular Formula: C5H8 Cl2 O2
• Molecular Weight: 171.023
• Hs Code.: 2915900090
• European Community (EC) Number: 265-252-8
• UNII: RYP45ATG9F
• DSSTox Substance ID: DTXSID3074076
• Nikkaji Number: J236.487E
• Wikidata: Q82002596
• Mol file: 64855-18-1.mol

Synonyms:3,3-Dichloropivalic acid;3,3-Dichloro-2,2-dimethylpropanoic acid;64855-18-1;Propanoic acid, 3,3-dichloro-2,2-dimethyl-;EINECS 265-252-8;RYP45ATG9F;3,3-Dichloro-2,2-dimethylpropionic acid;dichloropivalic acid;UNII-RYP45ATG9F;SCHEMBL1158338;DTXSID3074076;BESOJICOWPJPLC-UHFFFAOYSA-;MFCD00010005;AKOS006283058;3,3-Dichloro-2,2-dimethylpropanoic acid #

Chemical Property of Propanoic acid, 3,3-dichloro-2,2-dimethyl-

Chemical Property:

• Vapor Pressure: 0.0879mmHg at 25°C
• Boiling Point: 208°C at 760 mmHg
• Flash Point: 79.6°C
• PSA: 37.30000
• Density: 1.326g/cm³
• LogP: 1.90090
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.9901349
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(Cl)Cl)C(=O)O

Technology Process of Propanoic acid, 3,3-dichloro-2,2-dimethyl-

There total 1 articles about Propanoic acid, 3,3-dichloro-2,2-dimethyl- 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:

→ 3,3-dichloro-2,2-dimethylpropionic acid (64855-18-1)

Guidance literature:

Reference yield: 99.0%

m-Bromoaniline (591-19-5) + 3,3-dichloro-2,2-dimethylpropionic acid (64855-18-1) → N-(3-bromophenyl)-3-chloro-2-(chloromethyl)-2-methylpropanamide

Guidance literature:

3,3-dichloro-2,2-dimethylpropionic acid; With oxalyl dichloride; In chloroform; at 20 ℃; for 1h;

m-Bromoaniline; With triethylamine; In chloroform; at 20 ℃; for 2h;

Reference yield: 75.0%

3,3-dichloro-2,2-dimethylpropionic acid (64855-18-1) → 4-methyl-1,2-dithiolane-4-carboxylic acid (208243-72-5)

Guidance literature:

With sodium carbonate; potassium thioacetate; In water; dimethyl sulfoxide; at 100 ℃; for 22h;

Downstream raw materials:

4-chloro-3,3-dimethyl-1-{2-[(phenylmethyl)seleno]phenyl}-2-azetidinone

3,3-dichloro-2,2-dimethyl-N-{2-[(phenylmethyl)seleno]phenyl}propanamide

4-methyl-1,2-dithiolane-4-carboxylic acid

Refernces