Acetyl chloride-1-13C

Base Information

• Chemical Name: Acetyl chloride-1-13C
• CAS No.: 1520-57-6
• Molecular Formula: C¹³CH3ClO
• Molecular Weight: 79.4872
• European Community (EC) Number: 695-437-2
• DSSTox Substance ID: DTXSID90480751
• Nikkaji Number: J673.543F
• Wikidata: Q82315806
• Mol file: 1520-57-6.mol

Synonyms:Acetyl chloride-1-13C;1520-57-6;Acetyl-1-13C chloride(7CI,9CI);DTXSID90480751;AKOS015910676;Acetyl chloride-1-13C, 99 atom % 13C;J-008880

Chemical Property of Acetyl chloride-1-13C

Chemical Property:

• Vapor Pressure: 240 mm Hg ( 20 °C)
• Melting Point: -112 °C(lit.)
• Refractive Index: n20/D 1.389(lit.)
• Boiling Point: 52 °C(lit.)
• Flash Point: 40 °F
• PSA: 17.07000
• Density: 1.12 g/cm³
• LogP: 0.77170
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 78.9905972
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

99% ^*data from raw suppliers

Acetyl chloride-1-13C ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; C
• Hazard Codes: F,C
• Statements: 11-14-34
• Safety Statements: 9-16-23-45-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)Cl
• Isomeric SMILES: C[13C](=O)Cl

Technology Process of Acetyl chloride-1-13C

There total 4 articles about Acetyl chloride-1-13C 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: 88.0%

sodium acetate (23424-28-4) → [1-13C]acetyl chloride (1520-57-6)

Guidance literature:

With Phthaloyl dichloride; at 120 ℃; for 0.5h;

DOI:10.1021/ja00528a034

Reference yield:

[1-13C]-acetic acid (1563-79-7) → [1-13C]acetyl chloride (1520-57-6)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) H₂O, 2.) benzoyl chloride, heating in a distillation apparatus;

Reference yield:

carbon dioxide (1111-72-4) + methylmagnesium bromide (75-16-1) → [1-13C]acetyl chloride (1520-57-6)

Guidance literature:

With N,N-dimethyl-formamide; Phthaloyl dichloride; Multistep reaction; 1.) Et₂O, room temp.; 2.) THF, 84 deg C;

DOI:10.1016/S0040-4039(01)88997-8

upstream raw materials:

[1-13C]-acetic acid

carbon dioxide

methylmagnesium bromide

sodium acetate

Downstream raw materials:

benzyl 4-<<1-¹³C>acetyl>-3,5-dimethylpyrrole-2-carboxylate

(Z)-acetanilide-15N,13C(CO)

C₁₆⁽¹³⁾CH₁₅ClN₄O

deuteroporphyrin IX dimethyl ester