(S)-decan-3-ol

Base Information

• Chemical Name: (S)-decan-3-ol
• CAS No.: 120523-17-3
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• DSSTox Substance ID: DTXSID101317211
• Nikkaji Number: J61.062C
• Mol file: 120523-17-3.mol

Synonyms:3-Decanol, (S)-;120523-17-3;(S)-decan-3-ol;(3S)-DECAN-3-OL;(3S)-3-Decanol;[S,(+)]-3-Decanol;SCHEMBL14472843;ICEQLCZWZXUUIJ-JTQLQIEISA-N;DTXSID101317211

Chemical Property of (S)-decan-3-ol

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 71.3

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(CC)O
• Isomeric SMILES: CCCCCCC[C@H](CC)O

Technology Process of (S)-decan-3-ol

There total 2 articles about (S)-decan-3-ol 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:

C10H20O (935701-23-8) → 4-decanol (2051-31-2) + (3S)-decan-3-ol (120523-17-3)

Guidance literature:

With manganese; cyclohexa-1,4-diene; 2,4,6-collidine hydrochloride; ((1S,2R,5S)-2-i-Pr-5-Me-cyclohex-1-yl)Cp)2TiCl₂; In tetrahydrofuran; at 20 ℃; Title compound not separated from byproducts.;

DOI:10.1021/ja0686211

Reference yield:

decane (124-18-5) → (S)-decan-2-ol (33758-16-6) + (R)-decan-2-ol (1120-06-5,33758-16-6,74742-10-2,33758-15-5) + Decan-2-one (693-54-9) + decan-3-one (928-80-3) + (R)-(-)-3-decanol + (3S)-decan-3-ol (120523-17-3)

Guidance literature:

With D-glucose; E_. coli flavodoxin reductase; flavodoxin YkuN from Bacillus subtilis; glucose dehydrogenase from B_. megaterium; P₄₅₀ monooxygenase from Nocardia farcinica; NADPH; bovine serum albumin; catalase from bovine liver; In ethanol; at 25 ℃; for 24h; Solvent; stereoselective reaction; Catalytic behavior; Kinetics; Enzymatic reaction;

DOI:10.1039/c4cc00647j

Reference yield:

(3S)-decan-3-ol (120523-17-3) → (3R,4R,5S)-4-Acetylamino-5-amino-3-((S)-1-ethyl-octyloxy)-cyclohex-1-enecarboxylic acid

Guidance literature:

Multi-step reaction with 4 steps

1: BF₃*Et₂O / 2 h / 70 - 75 °C

2: pyridine, (dimethylamino)pyridine / 18 h / Ambient temperature

3: Ph₃P, H₂O / tetrahydrofuran / 10 h / 50 °C

4: 1N aq. KOH / tetrahydrofuran / 0.67 h / Ambient temperature

With pyridine; dmap; potassium hydroxide; boron trifluoride diethyl etherate; water; triphenylphosphine; In tetrahydrofuran;

DOI:10.1021/jm980162u

upstream raw materials:

C₁₀H₂₀O

decane

Downstream raw materials:

(3R,4R,5S)-4-Acetylamino-5-azido-3-((S)-1-ethyl-octyloxy)-cyclohex-1-enecarboxylic acid ethyl ester