1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol

Base Information

• Chemical Name: 1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol
• CAS No.: 105823-04-9
• Molecular Formula: C25H38O
• Molecular Weight: 354.56862
• UNII: 8I28LF0B2D
• DSSTox Substance ID: DTXSID90147357
• Nikkaji Number: J768.927F
• Wikipedia: JWH-057
• Wikidata: Q6109182
• Pharos Ligand ID: 3NB1WM8R19XZ
• ChEMBL ID: CHEMBL57723
• Mol file: 105823-04-9.mol

Synonyms:1',2'-dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol;1-deoxy-delta(8)-1',2'-dimethylheptyltetrahydrocannabinol;1-deoxy-delta(8)-THC DMH

Chemical Property of 1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol

Chemical Property:

• Boiling Point: 425.1oC at 760mmHg
• Flash Point: 210.3oC
• PSA: 9.23000
• Density: 0.937g/cm3
• LogP: 7.54550
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 354.292265831
• Heavy Atom Count: 26
• Complexity: 500

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)(C)C1=CC2=C(C=C1)C3CC(=CCC3C(O2)(C)C)C
• Isomeric SMILES: CCCCCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)C

Technology Process of 1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol

There total 11 articles about 1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol 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: 51.7%

diethyl ((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yI)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl) phosphate → JWH 057 (105823-04-9)

Guidance literature:

With ammonia; lithium; In diethyl ether; for 0.0833333h;

Reference yield:

L 759633 (174627-50-0) → JWH 057 (105823-04-9)

Guidance literature:

With ammonia; lithium;

DOI:10.1016/0960-894X(95)00573-C

Reference yield:

3-(1',1'-dimethylheptyl)-Δ8-tetrahydrocannabinol-1-diethyl phosphate → 1-deoxy-3-(1',1'-dimethylheptyl)-Δ8-tetrahydrocannabinol (105823-04-9)

Guidance literature:

With ammonia; lithium; In diethyl ether;

DOI:10.1021/jm0001572

upstream raw materials:

L 759633

α,α-dimethyl-3,5-dimethoxyphenylacetonitrile

2-(3,5-dimethoxyphenyl)-2-methylpropanal

1,3-dimethoxy-5-(2-methylhexan-2-yl)benzene

Refernces

• 1、 Gareau, Yves,Dufresne, Claude,Gallant, Michel,Rochette, Chantal,Sawyer, Nicole,Slipetz, Deborah M.,Tremblay, Nathalie,Weech, Philip K.,Metters, Kathleen M.,Labelle, Marc. "Structure activity relationships of tetrahydrocannabinol analogues on human cannabinoid receptors". . p. 189 - 194. Retrieved 1996.
• 2、 Huffman,Yu,Showalter,Abood,Wiley,Compton,Martin,Bramblett,Reggio. "Synthesis and pharmacology of a very potent cannabinoid lacking a phenolic hydroxyl with high affinity for the CB2 receptor". . p. 3875 - 3877. Retrieved 2007/10/03.