(4aR,8aS)-1,2,3,4,4a,5,8,8a-Octahydronaphthalene

Base Information

• Chemical Name: (4aR,8aS)-1,2,3,4,4a,5,8,8a-Octahydronaphthalene
• CAS No.: 1123-77-9
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID30495768
• Nikkaji Number: J327.317B
• Wikidata: Q82344088
• Mol file: 1123-77-9.mol

Synonyms:1123-77-9;(4aR,8aS)-1,2,3,4,4a,5,8,8a-Octahydronaphthalene;(4aS,8aR)-1,2,3,4,4a,5,8,8a-octahydronaphthalene;DTXSID30495768

Chemical Property of (4aR,8aS)-1,2,3,4,4a,5,8,8a-Octahydronaphthalene

Chemical Property:

• PSA: 0.00000
• LogP: 3.14280
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

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

1,2,3,4,4A,5,8,8A-OCTAHYDRO-NAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2CC=CCC2C1
• Isomeric SMILES: C1CC[C@H]2CC=CC[C@H]2C1

Technology Process of (4aR,8aS)-1,2,3,4,4a,5,8,8a-Octahydronaphthalene

There total 20 articles about (4aR,8aS)-1,2,3,4,4a,5,8,8a-Octahydronaphthalene 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:

cis-decalin (493-01-6) → 1,2,3,4,5,6,7,8-octahydro-naphthalene (493-03-8) + cis-2,3-octalin (1123-77-9) + trans-Decalin (493-02-7) + trans-cyclodecene (2198-20-1) + 1,9-octalin (1194-95-2) + (+/-)-cis-1,2,3,4,4a,5,6,8a-octahydro-naphthalene (1123-79-1,2001-49-2,4276-46-4)

Guidance literature:

at 25 ℃; Product distribution; Irradiation; also in the presence of oxygen;

DOI:10.1039/ft9949002459

Reference yield:

cis-2,3,4a,5,8,8a-hexahydro-1,4-naphthalenedione (3198-51-4) → cis-2,3-octalin (1123-77-9) + trans-2,3-octalin (2001-50-5)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 120 - 190 ℃; for 5.5h; Overall yield = 63%;

DOI:10.1021/ma400254d

Reference yield:

cis-β-Decalol-p-toluolsulfonat → cis-2,3-octalin (1123-77-9) + (+/-)-cis-1,2,3,4,4a,5,6,8a-octahydro-naphthalene (1123-79-1,2001-49-2,4276-46-4)

Guidance literature:

With calcium carbonate; In methanol; at 60 ℃; for 72h;

upstream raw materials:

(+/-)-trans,cis-decahydro-2-naphthol

C₂₄H₂₈N₄O₄S₂

decahydro-naphthalen-2-ol

buta-1,3-diene

Downstream raw materials:

tetralin

trans-Decalin

cis-decalin

2,3-dibromo-decahydro-naphthalene

Refernces

• 1、 Hummel, A.,Leng, H. C. de,Luthjens, L. H.,Wojnarovits, L.. "Singlet and Triplet Excited-state Formation in High-energy Electron Tracks in Liquid cis- and trans-Decalin as studied by Product Formation in Radiolysis and Photolysis". . p. 2459 - 2466. Retrieved 1994.
• 2、 Ozaki, Anri,Sumita, Koha,Goto, Kunihiro,Matsumoto, Akikazu. "Synthesis of poly(decahydro-2-naphthyl methacrylate)s with different geometric structures and effects of side-group dynamics on polymer properties investigated by thermal and dynamic mechanical analyses and DFT calculations". . p. 2941 - 2950. Retrieved 2013/06/05.