Dimethylheptylpyran

Base Information

• Chemical Name: Dimethylheptylpyran
• CAS No.: 32904-22-6
• Deprecated CAS: 51811-61-1
• Molecular Formula: C₂₅H₃₈O₂
• Molecular Weight: 370.576
• NSC Number: 25516
• UNII: 944O1KA97G
• DSSTox Substance ID: DTXSID60954555
• Nikkaji Number: J53.923F
• Wikipedia: Dimethylheptylpyran
• Wikidata: Q5277339
• ChEMBL ID: CHEMBL3244434
• Mol file: 32904-22-6.mol

Synonyms:3-(1,2-dimethylheptyl)-7,8,9,10-tetrahydro-6,6,9-trimethyl-6H-dibenzo(b,d)pyran-1-ol;dimethylheptylpyran (cannabinol analog)

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Chemical Property of Dimethylheptylpyran

Chemical Property:

• Vapor Pressure: 6.52E-10mmHg at 25°C
• Refractive Index: 1.541
• Boiling Point: 481.9°C at 760 mmHg
• PKA: 10.01±0.60(Predicted)
• Flash Point: 196.6°C
• PSA: 29.46000
• Density: 1.02g/cm³
• LogP: 7.45670
• Storage Temp.: -20°C
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 370.287180451
• Heavy Atom Count: 27
• Complexity: 534

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C(C)C1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O
• Uses: Dimethylheptylpyran belongs to the cannabinoid class of molecule. Capable of binding to the cannabinoid receptor in cerebral cortex membranes effecting antinociception, hypothermia and catalepsy

Technology Process of Dimethylheptylpyran

There total 5 articles about Dimethylheptylpyran 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:

5-(1,2-dimethylheptyl)resorcinol (10436-52-9) → DMHP (32904-22-6,51811-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphoryl chloride; benzene

2: diethyl ether; benzene

With diethyl ether; trichlorophosphate; benzene;

DOI:10.1021/ja01182a067

Reference yield:

1-(1,2-dimethyl-hept-1-enyl)-3,5-dimethoxy-benzene (50833-18-6) → DMHP (32904-22-6,51811-61-1)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol; copper oxide-chromium oxide / 175 °C / 228007 Torr / Hydrogenation

2: aqueous HBr; acetic acid

3: phosphoryl chloride; benzene

4: diethyl ether; benzene

With diethyl ether; ethanol; copper oxide-chromium oxide; hydrogen bromide; acetic acid; trichlorophosphate; benzene;

DOI:10.1021/ja01182a067

Reference yield:

3-methyl-2-(3,5-dimethoxyphenyl)-octane (56694-85-0) → DMHP (32904-22-6,51811-61-1)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous HBr; acetic acid

2: phosphoryl chloride; benzene

3: diethyl ether; benzene

With diethyl ether; hydrogen bromide; acetic acid; trichlorophosphate; benzene;

DOI:10.1021/ja01182a067

upstream raw materials:

methyl magnesium iodide

3-(1,2-dimethyl-heptyl)-1-hydroxy-9-methyl-7,8,9,10-tetrahydro-benzo[c]chromen-6-one

5-(1,2-dimethylheptyl)resorcinol

1-(1,2-dimethyl-hept-1-enyl)-3,5-dimethoxy-benzene