Chloromethyl isobutyrate

Base Information

• Chemical Name: Chloromethyl isobutyrate
• CAS No.: 61644-18-6
• Molecular Formula: C5H9ClO2
• Molecular Weight: 136.578
• Hs Code.: 2915900090
• European Community (EC) Number: 816-730-5
• DSSTox Substance ID: DTXSID20433674
• Nikkaji Number: J1.561.695D
• Wikidata: Q72454134
• Mol file: 61644-18-6.mol

Synonyms:CHLOROMETHYL ISOBUTYRATE;61644-18-6;Chloromethyl 2-methylpropanoate;Propanoicacid, 2-methyl-, chloromethyl ester;Propanoic acid, 2-methyl-, chloromethyl ester;MFCD16038293;isobutyryloxymethyl chloride;CHLOROMETHYLISOBUTYRATE;SCHEMBL320367;AMY4056;DTXSID20433674;isobutyric acid chloromethyl ester;ILUWVORABZTBIU-UHFFFAOYSA-N;AKOS006384437;CS-W018704;DS-8024;SB21857;SY033791;EN300-127318;P11842;A868660

Chemical Property of Chloromethyl isobutyrate

Chemical Property:

• Boiling Point: 124.604 °C at 760 mmHg
• Flash Point: 33.736 °C
• PSA: 26.30000
• Density: 1.081 g/cm³
• LogP: 1.38190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

99% ^*data from raw suppliers

ChloromethylIsobutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OCCl

Technology Process of Chloromethyl isobutyrate

There total 7 articles about Chloromethyl isobutyrate 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: 95.8%

→ chloromethyl isobutyrate (61644-18-6)

Guidance literature:

Reference yield: 84.0%

chlorosulfuric acid chloromethyl ester (49715-04-0) + isobutyric Acid (79-31-2) → chloromethyl isobutyrate (61644-18-6)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate; In dichloromethane; water; at 20 - 25 ℃;

Reference yield: 56.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + isobutyryl chloride (79-30-1) → chloromethyl isobutyrate (61644-18-6)

Guidance literature:

With zinc(II) chloride; at 90 ℃;

DOI:10.1016/j.bmcl.2009.01.043

upstream raw materials:

formaldehyd

isobutyryl chloride

potassium isobutyrate

chlorobromomethane

Downstream raw materials:

(5-(4-chlorophenyl)-3-(2,6-difluoro-3-(propylsulfonamido)benzoyl)-1H-pyrrolo[2,3-b]pyridine-1-yl)methyl isobutyrate

3-(isobutyryloxy)methyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5,5-dioxo-1,4-dihydrobenzothieno[3,2-b]pyridine-3-carboxylate

bis[(isobutyryloxy)methyl] 4-[2-(difluoromethoxy)phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate

3-[(isobutyryloxy)methyl] 5-(2-propoxyethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Refernces

• 1、 -. "COMPOUNDS WITH HIV MATURATION INHIBITORY ACTIVITY". Page/Page column 13-14. . Retrieved 2019/11/12.
• 2、 -. "Substituted aza indole compounds and salts thereof, composition and use thereof". Paragraph 0377; 0378; 0384; 0386; 0387. . Retrieved 2018/11/03.