6033-23-4

Basic information

• Product Name: (S)-(+)-2-Heptanol
• Synonyms: (S)-(+)-2-HYDROXYHEPTANE;(S)-(+)-2-HEPTANOL;(S)-2-HEPTANOL;(S)-heptan-2-ol;L-(-)-2-heptanol;(S)-(+)-Heptanol;(S)-(+)-2-HEPTANOL 98%;(2S)-2-Heptanol
• CAS NO: 6033-23-4
• Molecular Formula: C₇H₁₆O
• Molecular Weight: 116.2
• Product Categories: Alcohols, Hydroxy Esters and Derivatives;Chiral Compounds;chiral;Alcohols;Chiral Building Blocks;Organic Building Blocks
• Mol File: 6033-23-4.mol
• Article Data: 11

Chemical Properties

• Melting Point: -30.45°C (estimate)
• Boiling Point: 149-150 °C(lit.)
• Flash Point: 148 °F
• Appearance: /Liquid
• Density: 0.815 g/mL at 25 °C(lit.)
• Vapor Density: 4 (vs air)
• Vapor Pressure: 1 mm Hg ( 15 °C)
• Refractive Index: n20/D 1.421(lit.)
• PKA: 15.44±0.20(Predicted)
• Water Solubility: Soluble in water(3569 mg/L at 25°C).
• CAS DataBase Reference: (S)-(+)-2-Heptanol(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-(+)-2-Heptanol(6033-23-4)
• EPA Substance Registry System: (S)-(+)-2-Heptanol(6033-23-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: UN1987
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 6033-23-4(Hazardous Substances Data)

Usage

Chemical Properties

Colorless to light yellow liqui

Uses

(S)-(+)-2-Heptanol is used as pharmaceutical intermediate.

Definition

ChEBI: A secondary alcohol that is heptane substituted by a hydroxy group at position 2 (the 2S-stereoisomer).

InChI:InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3

Upstream product

• 142-82-5 n-heptane 
• 65756-08-3 (S)-(+)-6-Heptyn-2-ol 
• 928-39-2 hept-6-yn-2-one 
• 41055-92-9 1-chloro-2-heptanone 
• 123-82-0 2-heptylamine 
• 52390-72-4 2-Heptanol 
• 108-05-4 vinyl acetate 
• 110-43-0 n-pentyl methyl ketone 
• 67-63-0 isopropyl alcohol 
• 81007-64-9 (S)-1-chloroheptane-2-ol 

Downstream Products

• 110-43-0 n-pentyl methyl ketone 
• 67-63-0 isopropyl alcohol 
• 123-82-0 (R)-2-heptylamine 
• 1058723-56-0 (S)-heptan-2-yl 3-cyanobenzoate 
• 192513-67-0 (1S)-1-methylhexyl (5S)-[1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl]acetate 
• 110482-76-3 (S)-1-methylhexyl p-toluenesulfonate 
• 6938-51-8 (S)-benzoic acid 1-methylheptyl ester 

Relevant articles and documents

Co-immobilized Whole Cells with ω-Transaminase and Ketoreductase Activities for Continuous-Flow Cascade Reactions

An improved sol–gel process involving the use of hollow silica microspheres as a supporting additive was applied for the co-immobilization of whole cells of Escherichia coli with Chromobacterium violaceum ω-transaminase activity and Lodderomyces elongisporus with ketoreductase activity. The co-immobilized cells with two different biocatalytic activities could perform a cascade of reactions to convert racemic 4-phenylbutan-2-amine or heptan-2-amine into a nearly equimolar mixture of the corresponding enantiomerically pure R amine and S alcohol even in continuous-flow mode. The novel co-immobilized whole-cell system proved to be an easy-to-store and durable biocatalyst.

ALKANE OXIDATION BY MODIFIED HYDROXYLASES

This invention relates to modified hydroxylases. The invention further relates to cells expressing such modified hydroxylases and methods of producing hydroxylated alkanes by contacting a suitable substrate with such cells.

A novel P450-based biocatalyst for the selective production of chiral 2-alkanols

A P450 monooxygenase from Nocardia farcinica (CYP154A8) catalyses the stereo- and regioselective hydroxylation of n-alkanes, still a challenging task in chemical catalysis. In a biphasic reaction system, the regioselectivity for the C2-position of C7-C9 alkanes was over 90%. The enzyme showed strict S-selectivity for all tested substrates, with enantiomeric excess (ee) of up to 91%. This journal is the Partner Organisations 2014.