(S)-3-Methyl-1-heptanol

Base Information

• Chemical Name: (S)-3-Methyl-1-heptanol
• CAS No.: 61169-84-4
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• DSSTox Substance ID: DTXSID50500222
• Nikkaji Number: J51.706B
• Wikidata: Q82351653
• Mol file: 61169-84-4.mol

Synonyms:(S)-3-Methyl-1-heptanol;61169-84-4;(3S)-3-METHYLHEPTAN-1-OL;3-methyl-heptan-1-ol;3-(S)-methyl-1-heptanol;(s)-3-methyl-heptan-1-ol;SCHEMBL10546048;DTXSID50500222;MUPPEBVXFKNMCI-QMMMGPOBSA-N

Chemical Property of (S)-3-Methyl-1-heptanol

Chemical Property:

• PSA: 20.23000
• LogP: 2.19510
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 52.5

Purity/Quality:

(S)-3-METHYL-1-HEPTANOL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)CCO
• Isomeric SMILES: CCCC[C@H](C)CCO

Technology Process of (S)-3-Methyl-1-heptanol

There total 111 articles about (S)-3-Methyl-1-heptanol 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: 96.0%

1-<1-(R)-endo-(1-naphthyl)>bornyl <(S)-3-methyl>heptanoate (106000-05-9) → (S)-3-methylheptan-1-ol (61169-84-4,1070-32-2,99427-18-6,111767-94-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating;

DOI:10.1016/0022-328X(90)80182-Y DOI:10.1016/S0040-4020(01)91033-6

Reference yield: 94.0%

(R)-3-methylheptanoic acid methyl ester (99439-80-2) → (R)-(+)-3-Methyl-1-heptanol (1070-32-2,61169-84-4,111767-94-3,99427-18-6)

Guidance literature:

(R)-3-methylheptanoic acid methyl ester; With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

With rochelle salt; In tetrahydrofuran; hexane; water;

DOI:10.1002/anie.201002916

Reference yield: 94.0%

(R)-3-methyl-6-hepten-1-ol (237431-14-0) → (R)-(+)-3-Methyl-1-heptanol (1070-32-2,61169-84-4,111767-94-3,99427-18-6)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1021/ja990918u

upstream raw materials:

(-)(S)-2-methyl-hexane-carboxylic acid-⁽¹⁾-ethyl ester

n-butyl magnesium bromide

(R)-2-(1Ξ,2E)-but-2-enylideneamino-3,3-dimethyl-butyric acid tert-butyl ester

n-butyllithium

Downstream raw materials:

3-methylheptanoic acid

(R)-3-methylheptanal

(5S,9R)-5,9-dimethyl-8-(4-methylphenylsulfonyl)heptadecane

(5S,9S)-5,9-dimethyl-8-(4-methylphenylsulfonyl)heptadecane