(3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene

Base Information

Chemical Name:(3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene
CAS No.:940280-80-8
Molecular Formula:C₂₀H₁₈
Molecular Weight:258.363
Hs Code.:
DSSTox Substance ID:DTXSID10586547
Nikkaji Number:J2.460.336I
Wikidata:Q82478692
Mol file:940280-80-8.mol

Synonyms:(3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene;940280-80-8;(3As,6as)-3,6-diphenyl-1,3a,4,6a-tetrah;DTXSID10586547;AKOS025295940;(3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene, 97%

Suppliers and Price of (3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(3AS,6AS)-3,6-DIPHENYL-1,3A,4,6A-TETRAHYDROPENTALENE 95.00%
50MG
$ 771.31

Total 3 raw suppliers

Chemical Property of (3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene

Chemical Property:

Melting Point:104-109 °C
Boiling Point:415.5±45.0 °C(Predicted)
PSA：0.00000
Density:1.104±0.06 g/cm3(Predicted)
LogP:5.19340
Storage Temp.:2-8°C
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:258.140850574
Heavy Atom Count:20
Complexity:362

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3AS,6AS)-3,6-DIPHENYL-1,3A,4,6A-TETRAHYDROPENTALENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C=C(C2C1C(=CC2)C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES:C1C=C([C@@H]2[C@H]1C(=CC2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of (3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene

There total 12 articles about (3aS,6aS)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene 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: 100.0%

: 139040-24-7
(r-1H,c-5H)-c-2,c-6-Diphenylbicyclo<3.3.0>octan-2,6-diol

: 77275-08-2,940280-80-8
(r-1H,c-5H)-2,6-Diphenylbicyclo<3.3.0>octa-2,6-dien

Guidance literature:: With chloro-trimethyl-silane; In dichloromethane; for 2h;

Reference yield: 90.0%

: 940280-83-1
(3aS,6aS)-4-{[(trifluoromethyl)sulfonyl]oxy}-3,3a,6,6a-tetrahydropentalen-1-yl trifluoromethanesulfonate

: 98-80-6
phenylboronic acid

: 940280-80-8
(3aS,6aS)-3,6-diphenyl-1,3a,4,6a-tetrahydropentalene

Guidance literature:: With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; for 4h; Heating;
DOI:10.1021/ja0710914

Reference yield: 62.0%

: 940280-83-1
(3aS,6aS)-4-{[(trifluoromethyl)sulfonyl]oxy}-3,3a,6,6a-tetrahydropentalen-1-yl trifluoromethanesulfonate

: phenylmagnesium bromide

: 940280-80-8
(3aS,6aS)-3,6-diphenyl-1,3a,4,6a-tetrahydropentalene

Guidance literature:: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In diethyl ether; at 20 ℃; for 16h;
DOI:10.1002/adsc.200700232