62593-33-3

Basic information

• Product Name: heptane-3,4-diol
• Synonyms: heptane-3,4-diol;3,4-Heptanediol;Inchi=1/C7H16o2/C1-3-5-7(9)6(8)4-2/H6-9H,3-5H2,1-2h;NSC 51948
• CAS NO: 62593-33-3
• Molecular Formula: C₇H₁₆O₂
• Molecular Weight: 132.20074
• EINECS: 263-620-2
• Mol File: 62593-33-3.mol

Chemical Properties

• Melting Point: 98-99℃
• Boiling Point: 212℃ (761 Torr)
• Flash Point: 107.5°C
• Appearance: /
• Density: 0.945g/cm³
• Vapor Pressure: 0.0347mmHg at 25°C
• Refractive Index: 1.4300 (589.3 nm 20℃)
• CAS DataBase Reference: heptane-3,4-diol(CAS DataBase Reference)
• NIST Chemistry Reference: heptane-3,4-diol(62593-33-3)
• EPA Substance Registry System: heptane-3,4-diol(62593-33-3)

Safety Data

• Hazardous Substances Data: 62593-33-3(Hazardous Substances Data)

Usage

Uses

Used in Chemical Industry:
Heptane-3,4-diol is used as a solvent in various chemical reactions for its miscibility in water and polar organic solvents.
Used in Synthesis of Organic Compounds:
Heptane-3,4-diol is used as a precursor in the synthesis of other organic compounds due to its diol structure.
Used in Paints, Coatings, and Adhesives Production:
Heptane-3,4-diol is used in the production of paints, coatings, and adhesives, contributing to their formulation and performance.
Used in Personal Care Products:
Heptane-3,4-diol is used in some personal care products, taking advantage of its antimicrobial properties to enhance product efficacy and safety.
Used in Pharmaceutical Formulations:
Heptane-3,4-diol is used in pharmaceutical formulations for its antimicrobial properties, which can be beneficial in various medicinal applications.

InChI:InChI=1/C7H16O2/c1-3-5-7(9)6(8)4-2/h6-9H,3-5H2,1-2H3/t6-,7+/m0/s1

Upstream product

• 51945-98-3 1,5-heptadiene-3,4-diol 
• 74328-37-3 3-hydroxy-heptan-4-one 
• 64344-45-2 (E)-2-ethyl-2-hexenal 
• 123-19-3 4-heptanone 
• 42330-10-9 3-bromoheptan-4-one 
• 53897-32-8 3,4-Epoxy-heptan 
• 53897-32-8 cis-2-ethyl-3-propyloxirane 
• 7642-10-6 (Z)-3-heptene 
• 142-82-5 n-heptane 
• 130168-63-7 (3R)-(+)-3-(isopropoxydimethylsilyl)-4-heptanone 

Relevant articles and documents

Method for synthesizing ortho-diol compound by using macroporous anion exchange resin as catalyst

The invention discloses a method for synthesizing an ortho-diol compound by using macroporous anion exchange resin as a catalyst. According to the method, hydrocarbon epoxide is used as a raw material, the anion exchange resin is used as the catalyst, and a fixed bed continuous hydrolysis reaction technology is adopted for preparing the ortho-diol compound; the anion exchange resin is halogen ortho-substituted macroporous polystyrene-divinyl benzene quaternary phosphonium salt type anion exchange resin. The synthesis method is simple, the catalyst can be used repeatedly, the conversion rate of the raw material is high, and the yield of the ortho-diol compound is high.

Method for preparing vicinal diol compound through ring-opening reaction

The present invention discloses a method for preparing a vicinal diol compound through a ring-opening reaction. The method takes a hydrocarbons epoxide as a raw material and takes an anion exchange resin as a catalyst. The vicinal diol compound is prepared by using a fixed bed continuous hydrolysis reaction technology. The anion exchange resin is a halogen-substituted macroporous polystyrene-divinyl benzene quaternary ammonium salt type anion exchange resin. The synthesis method is simple, the catalyst can be used many times, the raw material conversion rate is high, and the yield of the vicinal diol compound is high.

Method for synthesizing vicinal diol compound which takes hydrocarbon epoxide as raw material

The present invention discloses a method for preparing a vicinal diol compound which takes a hydrocarbon epoxide as a raw material. The method takes the hydrocarbon epoxide as the raw material and takes an anion exchange resin as a catalyst. The vicinal diol compound is prepared by using a fixed bed continuous hydrolysis reaction technology. The anion exchange resin is a halogen-substituted macroporous polystyrene-divinyl benzene quaternary ammonium salt type anion exchange resin. The synthesis method is simple, the catalyst can be used many times, the raw material conversion rate is high, and the yield of the vicinal diol compound is high.

Method of using anion exchange resin as catalyst to synthesize vicinal diol compound

The invention discloses a method of using anion exchange resin as a catalyst to synthesize a vicinal diol compound. The method includes: using hydrocarbon epoxide as a raw material and the anion exchange resin as the catalyst; adopting a fixed bed continuous hydrolysis reaction process to obtain the vicinal diol compound, wherein the anion exchange resin is halogen substituted macroporous polystyrene-divinyl benzene quaternary ammonium salt type anion exchange resin. The method is simple, the catalyst can be utilized repeatedly, the raw material is high in conversion rate, and the vicinal diol compound is high in yield.

Selective transition-metal-free vicinal cis-dihydroxylation of saturated hydrocarbons

A transition-metal-free cis-dihydroxylation of saturated hydrocarbons under ambient reaction conditions has been developed. The described approach allows a direct and selective synthesis of vicinal diols. The new reaction thereby proceeds via radical iodination and a sequence of oxidation steps. A broad scope of one-pot dual C(sp3)-H bond functionalization for the selective synthesis of vicinal syn-diols was demonstrated.

Deracemization of (±)-2,3-disubstituted oxiranes via biocatalytic hydrolysis using bacterial epoxide hydrolases: Kinetics of an enantioconvergent process

Asymmetric biocatalytic hydrolysis of (±)-2,3-disubstituted oxiranes leading to the formation of vicinal diols in up to 97% ee at 100% conversion was accomplished by using the epoxide hydrolase activity of various bacterial strains. The mechanism of this deracemization was elucidated by 18OH2-labelling experiments using a partially purified epoxide hydrolase from Nocardia EH1. The reaction was shown to proceed in an enantioconvergent fashion by attack of OH- at the (S)-configured oxirane carbon atom with concomitant inversion of configuration. A mathematical model developed for the description of the kinetics was verified by the determination of the four relative rate constants governing the regio- and enantio-selectivity of the process.

Regio-, Diastereo-, and Enantioselective Synthesis of Vicinal Diols via α-Silyl Ketones

A new versatile and efficient regio-, diastereo-, and enantioselective synthesis of vicinal diols s-trans-4, s-trans-5, and s-cis-4 is described.Symmetrical ketones are converted into their SAMP- or RAMP-hydrazones which are then silylated with (isopropyloxy)dimethylsilyl chloride, followed by ozonolysis to afford the α-silyl ketones (R)-2 of high enantiomeric purity (ee 90 > 98percent).On the other hand, methyl ketones, after conversion into the corresponding (-)-(S)-1-amino-2-(methoxymethyl)pyrrolidine (SAMP) hydrazones, are silylated and then alkylated with R1 to afford unsymmetrical α-silyl ketones (S)-3 of high enantiomeric purity (ee 90->98percent).The reduction of the above obtained α-silyl ketones with L-Selectride, followed by oxidative cleavage of the C-Si bond gives rise to s-trans-4, s-trans-5, and s-cis-4 with high diastereoselectivity (de 95->98percent) and without racemization (ee >90->98percent).