Arotinoic methanol

Base Information

• Chemical Name: Arotinoic methanol
• CAS No.: 71441-30-0
• Molecular Formula: C24H30 O
• Molecular Weight: 334.502
• Nikkaji Number: J325.996J
• Mol file: 71441-30-0.mol

Synonyms:4 (2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)phenylmethanol;arotinoic methanol;arotinoid Ro 13-8320;Ro 13-8320;Ro-13-8320

Chemical Property of Arotinoic methanol

Chemical Property:

• Vapor Pressure: 2.33E-09mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 462.7°C at 760 mmHg
• Flash Point: 158.2°C
• PSA: 20.23000
• Density: 1.013g/cm³
• LogP: 6.08840
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 334.229665576
• Heavy Atom Count: 25
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

AROTINOIC METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)CO)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)CO)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

Technology Process of Arotinoic methanol

There total 8 articles about Arotinoic methanol 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: 89.0%

AGN 190316 (71441-09-3) → p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-propenyl>-benzyl alcohol (71441-30-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 0 - 5 ℃;

Reference yield:

1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)ethanone (17610-21-8) → p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-propenyl>-benzyl alcohol (71441-30-0)

Guidance literature:

Multi-step reaction with 5 steps

1: sodium borohydride / methanol / 1.5 h / 0 °C

2: phosphorus tribromide / pyridine / diethyl ether; hexane / 2.5 h / 0 - 5 °C

3: diethyl ether; xylene / 48 h / 100 °C

4: 69.3 percent / butylene oxide / 12 h / 65 °C

5: 89 percent / lithium aluminum hydride / tetrahydrofuran; diethyl ether / 0 - 5 °C

With tetrahydrofuran; sodium tetrahydroborate; lithium aluminium tetrahydride; phosphorus tribromide; pyridine; In tetrahydrofuran; methanol; diethyl ether; hexane; xylene;

Reference yield:

5,6,7,8-tetrahydro-α,5,5,8,8-pentamethyl-2-naphthalene methanol (69251-25-8) → p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-propenyl>-benzyl alcohol (71441-30-0)

Guidance literature:

Multi-step reaction with 4 steps

1: phosphorus tribromide / pyridine / diethyl ether; hexane / 2.5 h / 0 - 5 °C

2: diethyl ether; xylene / 48 h / 100 °C

3: 69.3 percent / butylene oxide / 12 h / 65 °C

4: 89 percent / lithium aluminum hydride / tetrahydrofuran; diethyl ether / 0 - 5 °C

With tetrahydrofuran; lithium aluminium tetrahydride; phosphorus tribromide; pyridine; In tetrahydrofuran; diethyl ether; hexane; xylene;

upstream raw materials:

AGN 190316

1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)ethanone

[1-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-ethyl]-triphenylphosphonium bromide

2-(bromoethyl)-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene

Downstream raw materials:

p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-propenyl>-benzaldehyde

p-<(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-propenyl>-benzyl acetate

(E)-3-{4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-phenyl}-prop-2-en-1-ol

6-{(E)-2-[4-((E)-3-Methoxy-propenyl)-phenyl]-1-methyl-vinyl}-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-naphthalene