7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

Base Information

• Chemical Name: 7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
• CAS No.: 59957-91-4
• Molecular Formula: C20H16 O4
• Molecular Weight: 320.34
• DSSTox Substance ID: DTXSID00975380
• Nikkaji Number: J419.934K
• Mol file: 59957-91-4.mol

Synonyms:7,8,9,10-tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, ((7alpha,8beta,9alpha,10alpha)-(+-))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, ((7alpha,8beta,9alpha,10beta)-(+-))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, ((7alpha,8beta,9beta,10alpha)-(+-))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, ((7alpha,8beta,9beta,10beta)-(+-))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7alpha,8beta,9alpha,10alpha)-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7alpha,8beta,9alpha,10beta)-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7alpha,8beta,9beta,10alpha)-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7alpha,8beta,9beta,10beta)-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7R-(7alpha,8beta,9alpha,10alpha))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7R-(7alpha,8beta,9alpha,10beta))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7R-(7alpha,8beta,9beta,10alpha))-isomer;7,8,9,10-tetrahydroxytetrahydrobenzo(a)pyrene, (7R-(7alpha,8beta,9beta,10beta))-isomer;benzo(a)pyrene-7,8,9,10-tetraol;BP-7,10-8,9-tetrol

Chemical Property of 7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

Chemical Property:

• Vapor Pressure: 9.38E-15mmHg at 25°C
• Boiling Point: 589.8°C at 760 mmHg
• Flash Point: 283.2°C
• PSA: 80.92000
• Density: 1.628g/cm³
• LogP: 2.38620
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 320.10485899
• Heavy Atom Count: 24
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)O)O)C=C2

Technology Process of 7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol

There total 14 articles about 7,8,9,10-Tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol 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%

(+/-)-r-7,t-8-Dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (63323-30-8,55097-80-8,58917-67-2,58917-91-2,60268-85-1,60268-86-2,63323-29-5,63323-31-9,63357-09-5,64397-28-0,64912-49-8,64912-50-1,82111-22-6,111137-80-5,91327-01-4) → (7R,8S,9R)-7,8,9,10-Tetrahydro-benzo[def]chrysene-7,8,9,10-tetraol (59957-91-4,61490-66-2,61490-67-3,61490-68-4,61490-69-5,62697-13-6,62697-16-9,62697-17-0,62697-19-2,75110-13-3,75110-14-4,75110-16-6,75110-17-7,78779-88-1,80225-54-3,82041-91-6,89827-05-4,89827-06-5,89827-07-6,134677-65-9,134733-06-5)

Guidance literature:

With Guanosine 5'-monophosphate; In 1,4-dioxane; water; at 25 ℃; Rate constant; other monophosphates of nucleosides;

DOI:10.1021/jo00226a016

Reference yield: 83.0%

(+/-)-r-7,t-8-Dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (63323-30-8,55097-80-8,58917-67-2,58917-91-2,60268-85-1,60268-86-2,63323-29-5,63323-31-9,63357-09-5,64397-28-0,64912-49-8,64912-50-1,82111-22-6,111137-80-5,91327-01-4) → 7,8,9,10-tetrahydroxytetrahydrobenzopyrene (61490-66-2,59957-91-4,61490-67-3,61490-68-4,61490-69-5,62697-13-6,62697-16-9,62697-17-0,62697-19-2,75110-13-3,75110-14-4,75110-16-6,75110-17-7,78779-88-1,80225-54-3,82041-91-6,89827-05-4,89827-06-5,89827-07-6,134677-65-9,134733-06-5) + (+/-)-7β,8α,9α,10α-tetrahydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene (62697-16-9)

Guidance literature:

With GMPH(-); In 1,4-dioxane; water; at 25 ℃; Rate constant; solvent effect, other reagent, pH;

DOI:10.1021/ja00375a026

Reference yield:

(+/-)-r-7,t-8-Dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene (63323-30-8,55097-80-8,58917-67-2,58917-91-2,60268-85-1,60268-86-2,63323-29-5,63323-31-9,63357-09-5,64397-28-0,64912-49-8,64912-50-1,82111-22-6,111137-80-5,91327-01-4) → 7,8,9,10-tetrahydroxytetrahydrobenzopyrene (61490-66-2,59957-91-4,61490-67-3,61490-68-4,61490-69-5,62697-13-6,62697-16-9,62697-17-0,62697-19-2,75110-13-3,75110-14-4,75110-16-6,75110-17-7,78779-88-1,80225-54-3,82041-91-6,89827-05-4,89827-06-5,89827-07-6,134677-65-9,134733-06-5)

Guidance literature:

With water; In methanol;

DOI:10.1021/ja00537a043

upstream raw materials:

(+/-)-r-7,t-8-Dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene

(-)-trans-7,8-dihydroxy-7,8-dihydrobenzo[a]pyrene

(+/-)-7α,8β-dihydroxy-9α,10α-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene

(+/-)-trans-7,8-dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydrobenzopyrene