Acetyl chloride-13C2

Base Information

• Chemical Name: Acetyl chloride-13C2
• CAS No.: 89186-79-8
• Molecular Formula: C2H3ClO
• Molecular Weight: 80.4762
• European Community (EC) Number: 687-209-6
• DSSTox Substance ID: DTXSID50480752
• Nikkaji Number: J1.415.147H
• Wikidata: Q82315807
• Mol file: 89186-79-8.mol

Synonyms:Acetyl chloride-13C2;89186-79-8;acetyl-13c2 chloride;CID 12214087;DTXSID50480752;Acetyl chloride-13C2, 99 atom % 13C

Chemical Property of Acetyl chloride-13C2

Chemical Property:

• 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: 1.130 g/mL at 25 °C
• 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: 79.9939521
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

98% ^*data from raw suppliers

Acetyl-13C2 Chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,C
• Statements: 11-14-20/21/22-34
• Safety Statements: 9-16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)Cl
• Isomeric SMILES: [13CH3][13C](=O)Cl

Technology Process of Acetyl chloride-13C2

There total 2 articles about Acetyl chloride-13C2 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:

sodium [1,2-13C2]acetate (56374-56-2) → [1,2-13C2]-acetyl chloride (89186-79-8)

Guidance literature:

With Phthaloyl dichloride; at 170 - 180 ℃; for 1h;

DOI:10.1021/jo00256a006

Reference yield:

→ [1,2-13C2]-acetyl chloride (89186-79-8)

Guidance literature:

DOI:10.1021/ja00835a062

Reference yield: 100.0%

[1,2-13C2]-acetyl chloride (89186-79-8) + (R)-3,5-dimethoxy-α-methylbenzeneethanamine hydrochloride (24973-29-3) → N-[(R)-1-(3,5-dimethoxyphenyl)propan-2-yl]-[1,2-13C2]-acetamide (929109-12-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2006.12.022

upstream raw materials:

sodium [1,2-13C₂]acetate

Downstream raw materials:

ethyl <3,4-(13)C2>acetoacetate

2,4-dihydroxy-[1',2'-⁽¹³⁾C₂]acetophenone

acetophenone-α,β-(13)C2

N-[3-cyano-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-2-yl][13C₂]acetamide

Refernces