(S)-(-)-2-Methyl-1-butanol

Base Information

• Chemical Name: (S)-(-)-2-Methyl-1-butanol
• CAS No.: 1565-80-6
• Molecular Formula: C5H12 O
• Molecular Weight: 88.1497
• Hs Code.: 2905199090
• European Community (EC) Number: 216-366-1
• UNII: II2QJB35IC
• DSSTox Substance ID: DTXSID20883695
• Nikkaji Number: J9.253C
• Wikidata: Q27122155
• Metabolomics Workbench ID: 57479
• Mol file: 1565-80-6.mol

Synonyms:1565-80-6;(S)-(-)-2-Methyl-1-butanol;(2S)-2-methylbutan-1-ol;(S)-2-Methyl-1-butanol;(S)-2-Methylbutan-1-ol;1-Butanol, 2-methyl-, (2S)-;(S)-(-)-2-Methylbutanol;2-Methyl-1-butanol, (-)-;1-Butanol, 2-methyl-, (S)-;(-)-2-methyl-1-butanol;(2S)-2-methyl-1-butanol;(S)-2-methylbutanol;UNII-II2QJB35IC;II2QJB35IC;EINECS 216-366-1;L-2-Methyl-1-butanol;(-)-2-methylbutanol;active-Amyl Alcohol;(s)-2-methylbutylalcohol;(S)-2-methylbutyl alcohol;(s)-2-methyl-butan-1-ol;2-Methyl-1-butanol, (S)-;CHEBI:50625;(-)-(s)-2-methyl-1-butanol;DTXSID20883695;(S)-(-)-2-methylbutan-1-ol;MFCD00064299;(S)-(-)-2-Methylbutanol, 99%;D-(-)-2-METHYL-1-BUTANOL;AKOS024256629;CS-0139702;M0170;2-METHYL-1-BUTANOL (-)-FORM [MI];EN300-203697;W-108011;Q27122155;(S)-(-)-2-Methylbutanol, >=95.0% (sum of enantiomers, GC)

Chemical Property of (S)-(-)-2-Methyl-1-butanol

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 1 mm Hg ( 13.6 °C)
• Melting Point: -70 ºC
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 128 ºC
• PKA: 15.24±0.10(Predicted)
• Flash Point: 43 ºC
• PSA: 20.23000
• Density: 0.81
• LogP: 1.02480
• Storage Temp.: 2-8°C
• Water Solubility.: 36 g/L (30 ºC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.088815002
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

≥99% ^*data from raw suppliers

(S)-(-)-2-Methylbutanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20-37-66-2017/10/20
• Safety Statements: 46-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)CO
• Isomeric SMILES: CC[C@H](C)CO
• Uses: (S)-(-)-2-Methylbutanol can be used as a reactant to prepare:Methylbutyl-2-(3-thienyl)acetate (MBTA) by esterification reaction with 3-thiophene acetic acid in the presence of an acid catalyst.(2S)-2-Methyl-1-butanesulfenyl chloride by reacting with thioacetic acid using Mitsunobu reaction conditions.(+)-Violapyrone C and (-)-myxalamide A. (S)-(?)-2-Methylbutanol can be used to prepare:(S)-(?)-2-Methyl-1-butyloxy carbonyl amino hexyl isocyanate (MBI), which is used to synthesize isocyanate copolymers.Chiral alkoxynaphathoic acid derivatives having liquid crystalline properties.3,4-Bis[(S)-2-methylbutoxy]thiophene, a key intermediate for the synthesis of polythiophenes.

Technology Process of (S)-(-)-2-Methyl-1-butanol

There total 75 articles about (S)-(-)-2-Methyl-1-butanol 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: 87.0%

(S)-2-Methylbutyric acid (1730-91-2) → (2S)-2-methyl-1-butanol (1565-80-6)

Guidance literature:

With methanol; lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Heating;

Reference yield: 5.0%

(+/-)-2-methyl-1-butanol (137-32-6) → (R)-2-Methyl-1-butanol (616-16-0) + (2S)-2-methyl-1-butanol (1565-80-6)

Guidance literature:

(+/-)-2-methyl-1-butanol; With (R,R,R,R)-(-)-trans,trans-2,3,10,11-tetrakis(hydroxydiphe..; at 20 ℃; for 24h;

at 180 ℃; under 30 Torr;

DOI:10.1002/1099-0690(200009)2000:18<3171::AID-EJOC3171>3.0.CO;2-T

Reference yield:

2-methyl-2-buten-1-ol (497-02-9,19319-26-7,4675-87-0) → (R)-2-Methyl-1-butanol (616-16-0) + (2S)-2-methyl-1-butanol (1565-80-6)

Guidance literature:

With C₃₈H₅₃IrN₃O⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; In dichloromethane; at 25 ℃; for 16h; under 37503.8 Torr; Reagent/catalyst; enantioselective reaction;

DOI:10.1021/jo4013783

upstream raw materials:

2-Methylbutyraldehyde

i-Amyl alcohol

(S)-2-methylbutyraldehyde

(S)-2-Methylbutyric acid

Downstream raw materials:

3-nitro-phthalic acid-2-((S)-2-methyl-butyl ester)

(S)-2-(2-methylbutoxycarbonyl)benzoic acid

lactic acid-(2-methyl-butyl ester)

lactic acid-(2-methyl-butyl ester)