Butyl 3-chloropropanoate

Base Information

• Chemical Name: Butyl 3-chloropropanoate
• CAS No.: 27387-79-7
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.632
• Hs Code.: 2915900090
• European Community (EC) Number: 248-437-8
• UNII: 65Y66QX9XE
• DSSTox Substance ID: DTXSID90181812
• Nikkaji Number: J43.285G
• Wikidata: Q83052428
• Mol file: 27387-79-7.mol

Synonyms:Butyl 3-chloropropanoate;27387-79-7;Butyl 3-chloropropionate;Propanoic acid, 3-chloro-, butyl ester;3-Chloropropanoic acid butyl ester;BUTYL3-CHLOROPROPANOATE;EINECS 248-437-8;AI3-33635;n-butyl 3-chloropropionate;65Y66QX9XE;SCHEMBL1365902;DTXSID90181812;3-chloro-propionic acid butyl ester;3-Chloropropionic acid, butyl ester;MFCD00829010;AKOS006227812;Propionic acid, 3-chloro-, butyl ester;FT-0638699;EN300-7066341

Chemical Property of Butyl 3-chloropropanoate

Chemical Property:

• Vapor Pressure: 0.402mmHg at 25°C
• Refractive Index: 1.43
• Boiling Point: 196.3 °C at 760 mmHg
• Flash Point: 77.9 °C
• PSA: 26.30000
• Density: 1.035 g/cm³
• LogP: 1.95860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

99% ^*data from raw suppliers

Butyl3-Chloropropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCCl

Technology Process of Butyl 3-chloropropanoate

There total 5 articles about Butyl 3-chloropropanoate 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: 90.0%

acrylic acid n-butyl ester (141-32-2,9003-49-0) + tin(ll) chloride → 3-chloro-propionic acid butyl ester (27387-79-7) + C7H13Cl3O2Sn (61470-34-6)

Guidance literature:

With hydrogenchloride; In neat (no solvent); under N2 atm. to suspn. anhyd. SnCl2 in butylacrylate added anhyd. HCl during 2 h, temp. maintained at 20°C or below; react. mixt. kept at 150°C/4 mm Hg to remove unreacted butylacrylate and ClCH2CH2COOBu, residue filtered; elem. anal.;

DOI:10.1016/S0020-1693(00)83624-5

Reference yield:

chloropropionic acid (107-94-8) + butan-1-ol (71-36-3) → 3-chloro-propionic acid butyl ester (27387-79-7)

Guidance literature:

With hydrogenchloride; at 0 ℃;

Reference yield:

acrylic acid n-butyl ester (141-32-2,9003-49-0) → 3-chloro-propionic acid butyl ester (27387-79-7)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

β-Propiolactone

butan-1-ol

acrylic acid n-butyl ester

3-Chloropropionitrile

Downstream raw materials:

acrylic acid n-butyl ester