7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene

Base Information

• Chemical Name: 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
• CAS No.: 36504-67-3
• Molecular Formula: C20H14O
• Molecular Weight: 270.34
• DSSTox Substance ID: DTXSID00957808
• Nikkaji Number: J1.692.030D
• Mol file: 36504-67-3.mol

Synonyms:9,10-Dihydrobenzo(a)pyrene-7,8-epoxide;7,8,9,10-Tetrahydro-BP-7,8-oxide;7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene;36504-67-3;BENZO(a)PYRENE, 7,8,9,10-TETRAHYDRO-7,8-EPOXY-;6b,7a,8,9-Tetrahydrobenzo(10,11)chryseno(1,2-b)oxirene cis-(+-)-;Benzo(10,11)chryseno(1,2-b)oxirene, 6b,7a,8,9-tetrahydro-, cis-(+-)-;82079-65-0;7,8-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene;SCHEMBL3345595;DTXSID00957808;LS-40082;6b,7a,8,9-tetrahydrobenzo[1,12]tetrapheno[8,9-b]oxirene;Benzo[10,11]chryseno[1,2-b]oxirene, 6b,7a,8,9-tetrahydro-

Chemical Property of 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene

Chemical Property:

• Vapor Pressure: 2.77E-09mmHg at 25°C
• Boiling Point: 490.3°C at 760 mmHg
• Flash Point: 234.6°C
• Density: 1.361g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 270.104465066
• Heavy Atom Count: 21
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=CC=C4)C6C1O6

Technology Process of 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene

There total 5 articles about 7,8-Epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene 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: 94.0%

9,10-dihydrobenzo[a]pyren-(8H)-none (3331-46-2) → 7,8-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (36504-67-3,82079-65-0)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 3h; Ambient temperature;

Reference yield: 81.0%

9,10-dihydro benzopyrene (17573-15-8) → 7,8-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (36504-67-3,82079-65-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

DOI:10.1016/S0040-4039(00)76952-8

Reference yield:

1-pyrenebutyric acid (3443-45-6) → 7,8-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (36504-67-3,82079-65-0)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride

2: sodium tetrahydroborate / ethanol

3: acetic acid; hydrogenchloride / Reflux

4: 3-chloro-benzenecarboperoxoic acid / dichloromethane

With hydrogenchloride; sodium tetrahydroborate; thionyl chloride; acetic acid; 3-chloro-benzenecarboperoxoic acid; In ethanol; dichloromethane;

DOI:10.1002/adsc.201700178

upstream raw materials:

9,10-dihydro benzopyrene

9,10-dihydrobenzo[a]pyren-(8H)-none

1-pyrenebutyric acid

7-hydroxy-7,8,9,10-tetrahydrobenzopyrene

Downstream raw materials:

(S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (7S,8S)-8-hydroxy-7,8,9,10-tetrahydro-benzo[def]chrysen-7-yl ester

(S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (7R,8R)-8-hydroxy-7,8,9,10-tetrahydro-benzo[def]chrysen-7-yl ester

trans-7,8,9,10-Tetrahydro-7,8-dihydroxybenzo[a]pyren

(7S,8S)-7,8,9,10-Tetrahydro-benzo[def]chrysene-7,8-diol