(+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE

Base Information

• Chemical Name: (+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE
• CAS No.: 117066-42-9
• Molecular Formula: C19H12O3
• Molecular Weight: 288.29678
• Mol file: 117066-42-9.mol

Synonyms:(+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE;Anti-1,2,3,4-tetrahydro-5-methylchrysene-1,2-diol-3,4-epoxide;Ccris 1748;Chryseno(3,4-B)oxirene-1,2-diol, 1,2,2A,3A-tetrahydro-4-methyl-, (1R-(1-alpha,2-beta,2A-alpha,3A-alpha))-

Chemical Property of (+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE

Chemical Property:

• Vapor Pressure: 5.49E-14mmHg at 25°C
• Boiling Point: 573.4°C at 760 mmHg
• Flash Point: 300.6°C
• PSA: 52.99000
• Density: 1.429g/cm³
• LogP: 3.14920

Purity/Quality:

(+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE

There total 5 articles about (+/-)-ANTI-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE 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: 85.0%

trans-1,2-dihydroxy-1,2-dihydro-5-methylchrysene (67411-81-8,74206-69-2,96741-20-7,103217-37-4,110507-59-0) → anti-5-methylchrysene 1,2-dihydrodiol 3,4-epoxide (117066-42-9,97170-06-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jo972214d

Reference yield: 54.0%

trans-1,2-dihydroxy-1,2-dihydro-5-methylchrysene (67411-81-8,74206-69-2,96741-20-7,103217-37-4,110507-59-0) → trans-1,2-dihydroxy-syn-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene (81851-68-5,96790-39-5,96790-40-8,97170-07-5,98458-55-0,111901-39-4,111901-40-7,117066-42-9,97170-06-4)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; tert-butyl alcohol; for 1h; Ambient temperature;

DOI:10.1021/jo00359a006

Reference yield:

1,2-dihydroxy-5-methylchrysene (192703-61-0) → anti-5-methylchrysene 1,2-dihydrodiol 3,4-epoxide (117066-42-9,97170-06-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 960 mg / pyridine / 16 h / Ambient temperature

2: 88 percent / NaBH₄, oxygen / ethanol / Ambient temperature

3: 85 percent / m-chloroperbenzoic acid / tetrahydrofuran / 1 h / Ambient temperature

With pyridine; sodium tetrahydroborate; oxygen; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; ethanol;

DOI:10.1021/jo972214d

upstream raw materials:

trans-1,2-dihydroxy-1,2-dihydro-5-methylchrysene

1,2-dihydroxy-5-methylchrysene

1,2-dimethoxy-5-methylchrysene

1,2-diacetoxy-5-methylchrysene

Downstream raw materials:

r-1,t-2,3,c-4-tetrahydroxy-1,2,3,4-tetrahydro-5-methylchrysene