3,4-Bis(cyclopropylmethoxy)benzoyl chloride

Base Information

• Chemical Name: 3,4-Bis(cyclopropylmethoxy)benzoyl chloride
• CAS No.: 669001-67-6
• Molecular Formula: C15H17ClO3
• Molecular Weight: 280.751
• DSSTox Substance ID: DTXSID00591983
• Wikidata: Q82485863
• Mol file: 669001-67-6.mol

Synonyms:3,4-Bis(cyclopropylmethoxy)benzoyl chloride;669001-67-6;SCHEMBL4286296;DTXSID00591983;VQXKUDFLWVJVGP-UHFFFAOYSA-N;3,4-dicyclopropylmethoxybenzoyl chloride;3,4-bis-cyclopropylmethoxybenzoyl chloride

Chemical Property of 3,4-Bis(cyclopropylmethoxy)benzoyl chloride

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 280.0866221
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1COC2=C(C=C(C=C2)C(=O)Cl)OCC3CC3

Technology Process of 3,4-Bis(cyclopropylmethoxy)benzoyl chloride

There total 3 articles about 3,4-Bis(cyclopropylmethoxy)benzoyl chloride 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:

3,4-bis(cyclopropylmethoxy)benzoic acid (1369851-30-8) → 3,4-bis(cyclopropylmethoxy)benzoyl chloride (669001-67-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene; for 3h; Dean-Stark; Reflux;

DOI:10.3184/174751914X14061300074410

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → 3,4-bis(cyclopropylmethoxy)benzoyl chloride (669001-67-6)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / Reflux

2: aminosulfonic acid; sodium chlorite / acetonitrile; water / 2 h / 5 - 20 °C

3: thionyl chloride; N,N-dimethyl-formamide / toluene / 3 h / Dean-Stark; Reflux

With sodium chlorite; thionyl chloride; aminosulfonic acid; potassium carbonate; N,N-dimethyl-formamide; In water; toluene; acetonitrile;

DOI:10.3184/174751914X14061300074410

Reference yield:

3,4-bis(cyclopropylmethoxy)benzaldehyde (1369817-76-4) → 3,4-bis(cyclopropylmethoxy)benzoyl chloride (669001-67-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aminosulfonic acid; sodium chlorite / acetonitrile; water / 2 h / 5 - 20 °C

2: thionyl chloride; N,N-dimethyl-formamide / toluene / 3 h / Dean-Stark; Reflux

With sodium chlorite; thionyl chloride; aminosulfonic acid; N,N-dimethyl-formamide; In water; toluene; acetonitrile;

DOI:10.3184/174751914X14061300074410

upstream raw materials:

3,4-dihydroxybenzaldehyde

3,4-bis(cyclopropylmethoxy)benzaldehyde

3,4-bis(cyclopropylmethoxy)benzoic acid

Downstream raw materials:

3,4-bis(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl) benzamide