(S)-1,2-Dodecanediol

Base Information

• Chemical Name: (S)-1,2-Dodecanediol
• CAS No.: 85514-85-8
• Molecular Formula: C12H26O2
• Molecular Weight: 202.337
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID20369964
• Nikkaji Number: J1.230.462E
• Wikidata: Q82157260
• Mol file: 85514-85-8.mol

Synonyms:(S)-1,2-DODECANEDIOL;85514-85-8;(2S)-dodecane-1,2-diol;(S)-Dodecane-1,2-diol;(S)-(-)-1,2-Dodecanediol;1alpha,2alpha-Dodecanediol;SCHEMBL5894887;DTXSID20369964;ZITKDVFRMRXIJQ-LBPRGKRZSA-N;AKOS017343243;(S)-(-)-1,2-Dodecanediol, 99%

Chemical Property of (S)-1,2-Dodecanediol

Chemical Property:

• Vapor Pressure: 8.4E-05mmHg at 25°C
• Melting Point: 69-72 °C(lit.)
• Refractive Index: 1.4649 (estimate)
• Boiling Point: 304.3°C at 760 mmHg
• Flash Point: 134.3°C
• PSA: 40.46000
• Density: 0.911g/cm³
• LogP: 2.87040
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 105

Purity/Quality:

98% ^*data from raw suppliers

(S)-(?)-1,2-Dodecanediol 99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(CO)O
• Isomeric SMILES: CCCCCCCCCC[C@@H](CO)O

Technology Process of (S)-1,2-Dodecanediol

There total 28 articles about (S)-1,2-Dodecanediol 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: 94.0%

(4S)-decyl-2,2-dimethyl[1,3]dioxolane (438037-24-2) → (2S)-dodecane-1,2-diol (85514-85-8)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

DOI:10.1002/chem.200390021

Reference yield: 88.0%

(4S)-dec-1-enyl-2,2-dimethyl[1,3]dioxolane (438037-23-1) → (2S)-dodecane-1,2-diol (85514-85-8)

Guidance literature:

(4S)-dec-1-enyl-2,2-dimethyl[1,3]dioxolane; With hydrogen; palladium on activated charcoal; In methanol;

With hydrogenchloride; In methanol;

DOI:10.1016/j.tetlet.2005.03.123

Reference yield: 71.5%

Decyl-oxiran (2855-19-8) → (R)-1,2-epoxydodecane (109856-85-1) + (2S)-dodecane-1,2-diol (85514-85-8)

Guidance literature:

With water; isopropyl alcohol; (R,R)-Jacobsen catalyst; In dichloromethane; at 20 ℃; Cooling; Inert atmosphere;

upstream raw materials:

(S)-2-(benzyloxy)dodecan-1-ol

(4S)-decyl-2,2-dimethyl[1,3]dioxolane

(4S)-dec-1-enyl-2,2-dimethyl[1,3]dioxolane

n-nonylidene triphenylphosphorane

Downstream raw materials:

(2S)-1-(2-benzyloxyethoxy)dodecan-2-ol

(2S)-2-hydroxydodecyl 4-methylbenzenesulfonate

2-n-decyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine

[2-(2S)-(2-methoxymethoxydodecyloxy)ethoxymethyl]benzene