(1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol

Base Information

Chemical Name:(1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol
CAS No.:82510-56-3
Molecular Formula:C₁₈H₁₄O₃
Molecular Weight:278.307
Hs Code.:
Nikkaji Number:J511.691K

Synonyms:CCRIS 7365;(-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-1;(-)-syn-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide;(-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide (syn);(-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-(syn);82510-56-3;(+)-syn-Benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide;(-)-syn-Benzo(c)phenanthrene 3,4-dihydrodiol-1,2-epoxide;Benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aR,2S,3R,11dS)-;(1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol;(1AR-(1AALPHA,2ALPHA,3BETA,11DALPHA))-1A,2,3,11D-TETRAHYDROBENZO[5,6]PHENANTHRO[3,4-B]OXIRENE-2,3-DI OL

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol

Chemical Property:

Vapor Pressure:1.03E-13mmHg at 25°C
Boiling Point:567.5°Cat760mmHg
Flash Point:297°C
Density:1.478g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:278.094294304
Heavy Atom Count:21
Complexity:425

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C(C(C5C4O5)O)O
Isomeric SMILES:C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)[C@H]([C@@H]([C@@H]5[C@H]4O5)O)O

Technology Process of (1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol

There total 9 articles about (1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol 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:

: 73093-19-3,79117-84-3,81345-49-5,86631-73-4,86631-74-5,88244-27-3
3,4-dihydroxy-3,4-dihydrobenzo[c]phenanthrene

: 75410-89-8,75443-72-0,76024-59-4,76024-60-7,81371-24-6,82510-56-3,82510-57-4,82510-58-5,82510-59-6,111001-48-0,82373-05-5
trans-3,4-dihydroxy-anti-1,2-epoxy-1,2,3,4-tetrahydrobenzophenanthrene

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; for 2h;
DOI:10.1021/jo00265a023

Reference yield:

: 22717-95-9
3-hydroxybenzophenanthrene

: 75410-89-8,75443-72-0,76024-59-4,76024-60-7,81371-24-6,82510-56-3,82510-57-4,82510-58-5,82510-59-6,111001-48-0,82373-05-5
trans-3,4-dihydroxy-anti-1,2-epoxy-1,2,3,4-tetrahydrobenzophenanthrene

Guidance literature:: Multi-step reaction with 3 steps

1: 2.19 g / (KSO₃)2NO, Adogen 464, KH₂PO₄ / benzene / 1 h

2: 1.64 g / NaBH₄, O₂ / ethanol / 126 h

3: 33 mg / m-chloroperbenzoic acid / tetrahydrofuran / 2 h

With sodium tetrahydroborate; potassium dihydrogenphosphate; adogen 464; potassium nitrososulfonate; oxygen; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; ethanol; benzene;
DOI:10.1021/jo00265a023

Reference yield:

: 118658-88-1
benzophenanthrene-3,4-dione

: 75410-89-8,75443-72-0,76024-59-4,76024-60-7,81371-24-6,82510-56-3,82510-57-4,82510-58-5,82510-59-6,111001-48-0,82373-05-5
trans-3,4-dihydroxy-anti-1,2-epoxy-1,2,3,4-tetrahydrobenzophenanthrene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.64 g / NaBH₄, O₂ / ethanol / 126 h

2: 33 mg / m-chloroperbenzoic acid / tetrahydrofuran / 2 h

With sodium tetrahydroborate; oxygen; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; ethanol;
DOI:10.1021/jo00265a023