1H-2-Benzopyran, 1-(4-chlorophenyl)-3,4-dihydro-6,7-dimethoxy-

Base Information

• Chemical Name: 1H-2-Benzopyran, 1-(4-chlorophenyl)-3,4-dihydro-6,7-dimethoxy-
• CAS No.: 63932-13-8
• Molecular Formula: C17H17ClO3
• Molecular Weight: 304.773
• DSSTox Substance ID: DTXSID60470306
• Nikkaji Number: J2.314.630D
• Mol file: 63932-13-8.mol

Synonyms:63932-13-8;1H-2-Benzopyran, 1-(4-chlorophenyl)-3,4-dihydro-6,7-dimethoxy-;SCHEMBL11254592;DTXSID60470306

Chemical Property of 1H-2-Benzopyran, 1-(4-chlorophenyl)-3,4-dihydro-6,7-dimethoxy-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 304.0866221
• Heavy Atom Count: 21
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)Cl)OC

Technology Process of 1H-2-Benzopyran, 1-(4-chlorophenyl)-3,4-dihydro-6,7-dimethoxy-

There total 1 articles about 1H-2-Benzopyran, 1-(4-chlorophenyl)-3,4-dihydro-6,7-dimethoxy- 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: 99.0%

4-chlorobenzaldehyde (104-88-1) + 2-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2) → 1-(4-chlorophenyl)-6,7-dimethoxyisochroman (63932-13-8)

Guidance literature:

With iron(II) triflate; In toluene; at 70 ℃; for 2h; Green chemistry;

DOI:10.1016/j.tet.2018.10.028

Reference yield: 65.0%

1-(4-chlorophenyl)-6,7-dimethoxyisochroman (63932-13-8) → 2-(4-chlorobenzoyl)-4,5-dimethoxyphenylacetic acid (102693-04-9)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; In water; acetone; for 2h; Ambient temperature;

Reference yield: 30.0%

1-(4-chlorophenyl)-6,7-dimethoxyisochroman (63932-13-8) → 2--4,5-dimethoxy-benzoesaeure (92774-10-2) + 2-(4-Chloro-benzoyl)-4,5-dimethoxy-benzaldehyde + [2-(4-Chloro-benzoyl)-4,5-dimethoxy-phenyl]-acetic acid 1-(4-chloro-phenyl)-6,7-dimethoxy-isochroman-1-yl ester (92774-15-7)

Guidance literature:

With chromium(VI) oxide; In water; acetic acid; for 2h; Ambient temperature;

upstream raw materials:

4-chlorobenzaldehyde

2-(3,4-dimethoxyphenyl)ethyl alcohol

Downstream raw materials:

2-(4-chlorobenzoyl)-4,5-dimethoxyphenylacetic acid

2--4,5-dimethoxy-benzoesaeure

[2-(4-Chloro-benzoyl)-4,5-dimethoxy-phenyl]-acetic acid 1-(4-chloro-phenyl)-6,7-dimethoxy-isochroman-1-yl ester

1-(4-chlorophenyl)-3,5-dihydro-7,8-dimethoxy-3-methyl-4H-2,3-benzodiazepin-4-one