4-Chlorobutyryl chloride

Base Information

• Chemical Name: 4-Chlorobutyryl chloride
• CAS No.: 4635-59-0
• Deprecated CAS: 2231811-47-3
• Molecular Formula: C4H6Cl2O
• Molecular Weight: 140.997
• Hs Code.: 29159080
• European Community (EC) Number: 225-059-1
• UNII: 3663U0VKRI
• DSSTox Substance ID: DTXSID6052114
• Nikkaji Number: J26.724D
• Wikidata: Q27256529
• Mol file: 4635-59-0.mol

Synonyms:4-Chlorobutyryl chloride;4635-59-0;4-Chlorobutanoyl chloride;Butanoyl chloride, 4-chloro-;4-Chlorobutyroyl chloride;4-Chlorobutanoic acid chloride;4-Chlorobutyric acid chloride;gamma-Chlorobutyryl chloride;Butyryl chloride, 4-chloro-;4-chloro-butyryl chloride;Butanoyl chloride, chloro-;gamma-Chlorobutyroyl chloride;HSDB 7299;EINECS 225-059-1;4-chloro butyryl chloride;UNII-3663U0VKRI;.gamma.-Chlorobutyryl chloride;3663U0VKRI;EC 225-059-1;4-chlorobutyrylchloride;chlorobutyrylchloride;chlorobutyryl chloride;chlorobutanoyl chloride;4-Chlorobutyl chloride;4-chlorobutryl chloride;4-chlorobutyryl choride;4-chlorobutanoylchloride;4-chlorobutyric chloride;Chlorobutyryl chloride, 4-;4-Chlorobutanoyl chloride #;SCHEMBL72850;4-Chlorobutyryl chloride, 99%;DTXSID6052114;gamma-chlorobutyric acid chloride;CDIIZULDSLKBKV-UHFFFAOYSA-;.gamma.-Chloro-n-butyryl chloride;AMY25684;BBL011409;MFCD00000754;STL146515;.OMEGA.-CHLOROBUTYRYL CHLORIDE;AKOS000119223;.GAMMA.-CHLOROBUTYROYL CHLORIDE;.OMEGA.-CHLOROBUTANOYL CHLORIDE;BP-30169;LS-46883;VS-02941;C0824;FT-0618206;.GAMMA.-CHLOROBUTYRYL CHLORIDE [HSDB];EN300-18995;4-Chlorobutyryl chloride, technical grade, 95%;Q27256529;F2190-0035

Chemical Property of 4-Chlorobutyryl chloride

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 3 mm Hg ( 20 °C)
• Melting Point: -47 °C
• Refractive Index: 1.4610-1.4620
• Boiling Point: 174.3 °C at 760 mmHg
• Flash Point: 70.2 °C
• PSA: 17.07000
• Density: 1.231 g/cm³
• LogP: 1.77080
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: soluble in diethyl ether, ethanol, slightly soluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 139.9795702
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

4-ChlorobutyroylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C
• Hazard Codes: T,C
• Statements: 22-23-35
• Safety Statements: 26-28-36/37/39-45-28A

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(CC(=O)Cl)CCl
• Uses: 4-Chlorobutyroyl Chloride is used in the preparation of mitosene and mitosane analogs of Mitomycin C (M371900), an antitumor antibiotic. . 4-Chlorobutyryl chloride (4-CBCl) is mainly used in the production of pharmaceuticals and agrochemicals. It is used as pyrazinamide intermediate.

Technology Process of 4-Chlorobutyryl chloride

There total 20 articles about 4-Chlorobutyryl 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: 97.0%

γ-chlorobutyric acid (627-00-9) → 4-Chlorobutanoyl chloride (4635-59-0)

Guidance literature:

With thionyl chloride; Heating;

Reference yield: 96.0%

→ 4-Chlorobutanoyl chloride (4635-59-0)

Guidance literature:

Reference yield: 94.3%

4-butanolide (96-48-0) + bis(trichloromethyl) carbonate (32315-10-9) → 4-Chlorobutanoyl chloride (4635-59-0)

Guidance literature:

In toluene; at 80 ℃; for 2h; Temperature;

upstream raw materials:

4-butanolide

tetrachloromethane

phosgene

Dichloromethyl methyl ether

Downstream raw materials:

4-chloro-1-(morpholin-4-yl)butan-1-one

N,N-dimethyl-4-chlorobutyramide

cyclopropyl-p-tolyl-methanone

N-(4-phenylthiazol-2-yl)-4-chlorobutanamide

Refernces

• 1、 Wang, Yiqiong,Huang, Fei,Zhang, Songlin. "Intramolecular Cyclization of Brominated Oxime Ether Promoted with Ytterbium(0) to the Synthesis of Cyclic Imines". supporting information. p. 5178 - 5181. Retrieved 2020/08/13.
• 2、 -. "FGFR INHIBITOR AND APPLICATION THEREOF". Paragraph 0249-0250. . Retrieved 2020/01/22.