Decahydro-1-naphthol

Base Information

• Chemical Name: Decahydro-1-naphthol
• CAS No.: 529-32-8
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• Hs Code.: 2907199090
• European Community (EC) Number: 208-458-5
• NSC Number: 155638
• DSSTox Substance ID: DTXSID601313369
• Nikkaji Number: J6.695H
• Mol file: 529-32-8.mol

Synonyms:Decahydro-1-naphthol;529-32-8;DECAHYDRONAPHTHALEN-1-OL;1-Naphthalenol, decahydro-;EINECS 208-458-5;AI3-11182;1-Naphthalenol,decahydro-;decalinol;alpha-Decalol;NSC155638;Decahydro-1-naphthalenol;Decahydro-1-naphthalenol #;SCHEMBL712232;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol;(+/-)-decahydronaphthalen-1-ol;DTXSID601313369;AKOS040751470;NSC-155638;FT-0654738;EN300-314646;1.alpha., 4a.alpha., 8a.beta.-Decehydro-1-naphthalenol

Chemical Property of Decahydro-1-naphthol

Chemical Property:

• Melting Point: 48-50℃
• Refractive Index: 1.4723 (estimate)
• Boiling Point: 238 °C at 760 mmHg
• Flash Point: 102.1 °C
• PSA: 20.23000
• Density: 0.992 g/cm³
• LogP: 0.94670
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99%, ^*data from raw suppliers

decahydronaphthalen-1-ol ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)CCCC2O

Technology Process of Decahydro-1-naphthol

There total 72 articles about Decahydro-1-naphthol 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: 99.0%

tert-Butyl-[(4aS,8aS)-(decahydro-naphthalen-1-yl)oxy]-dimethyl-silane → 1-decalinol (529-32-8,207127-50-2,691892-12-3)

Guidance literature:

With dimethylbromosulphonium bromide; In methanol; at 20 ℃; for 4h;

DOI:10.1081/SCC-120026345

Reference yield: 95.0%

3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 1-decalinol (529-32-8,207127-50-2,691892-12-3)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In ethanol; under 1292.9 - 2585.7 Torr;

DOI:10.1021/jo00274a018

Reference yield: 91.4%

α-naphthol (90-15-3) → 1-decalinol (529-32-8,207127-50-2,691892-12-3)

Guidance literature:

With hydrogen; In water; at 60 ℃; for 10h; under 7500.75 Torr; Autoclave;

DOI:10.1039/c6ta01317a

upstream raw materials:

α-naphthol

pyridine N-oxide

cis-decalin

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

trans-1-decalone

trans-Decalyl-1β-amin-(10αH)

1-decalone

(+/-)-toluene-4-sulfonic acid-((4ar,8ac)decahydro[1t]naphthyl ester)

Refernces

• 1、 Bertuletti, Susanna,Ferrandi, Erica Elisa,Marzorati, Stefano,Vanoni, Marta,Riva, Sergio,Monti, Daniela. "Insights into the Substrate Promiscuity of Novel Hydroxysteroid Dehydrogenases". . p. 2474 - 2485. Retrieved 2020/05/06.
• 2、 He, Yuan,Tang, Jinghua,Luo, Meiming,Zeng, Xiaoming. "Regioselective and Chemoselective Reduction of Naphthols Using Hydrosilane in Methanol: Synthesis of the 5,6,7,8-Tetrahydronaphthol Core". supporting information. p. 4159 - 4163. Retrieved 2018/07/29.