3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate

Base Information

Chemical Name:3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate
CAS No.:287118-99-4
Molecular Formula:C₁₆H₁₃ClO₄
Molecular Weight:304.73
Hs Code.:
DSSTox Substance ID:DTXSID201259565

Synonyms:SCHEMBL4325931;DTXSID201259565;3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate;287118-99-4

Suppliers and Price of 3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:304.0502366
Heavy Atom Count:21
Complexity:371

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CCl

Technology Process of 3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate

There total 4 articles about 3-(Chloromethyl)phenyl 2-(acetyloxy)benzoate 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: 69.4%

: 287118-98-3
NCX 4017

: 287118-99-4
2-(acetyloxy)benzoic acid 3-(chloromethyl)-phenyl ester

Guidance literature:: With thionyl chloride; In N-methyl-acetamide;

Reference yield:

: 50-78-2,98201-60-6
aspirin

: 287118-99-4
2-(acetyloxy)benzoic acid 3-(chloromethyl)-phenyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂; pyridine / CH₂Cl₂ / 2 h / 0 °C

2: Et₃N / CH₂Cl₂ / 0 °C

3: NaBH₄ / tetrahydrofuran / 0 °C

4: SOCl₂; pyridine / CH₂Cl₂ / -30 - 20 °C

With pyridine; sodium tetrahydroborate; thionyl chloride; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm061371e

Reference yield:

: 203065-55-8
2-(acetyloxy)benzoic acid 3-(formyl)phenyl ester

: 287118-99-4
2-(acetyloxy)benzoic acid 3-(chloromethyl)-phenyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / tetrahydrofuran / 0 °C

2: SOCl₂; pyridine / CH₂Cl₂ / -30 - 20 °C

With pyridine; sodium tetrahydroborate; thionyl chloride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm061371e