35435-68-8

Basic information

• Product Name: 1,4-Butanediol, monoacetate
• CAS NO: 35435-68-8
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Mol File: 35435-68-8.mol

Chemical Properties

• CAS DataBase Reference: 1,4-Butanediol, monoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-Butanediol, monoacetate(35435-68-8)
• EPA Substance Registry System: 1,4-Butanediol, monoacetate(35435-68-8)

Safety Data

• Hazardous Substances Data: 35435-68-8(Hazardous Substances Data)

Usage

Chemical structure

Ester formed by the combination of 1,4-Butanediol and acetic acid

Physical state

Clear, colorless liquid

Odor

Slight odor

Solubility

Soluble in water

Primary uses

a. Solvent
b. Intermediate in the production of various industrial chemicals

Additional applications

a. Plasticizer
b. Manufacturing of resins, coatings, and adhesives

Pharmaceutical industry use

Precursor for the synthesis of certain medications

Upstream product

• 110-63-4 Butane-1,4-diol 
• 141-78-6 ethyl acetate 
• 108-05-4 vinyl acetate 
• 591-87-7 Allyl acetate 
• 201230-82-2 carbon monoxide 
• 64-19-7 acetic acid 
• 175849-49-7 acetic acid 4-(tert-butyldimethylsilanyloxy)butyl ester 
• 108-24-7 acetic anhydride 
• 626-68-6 2-methyl-[1,3]dioxane 
• 50-00-0 formaldehyd 

Downstream Products

• 373-09-1 4-fluorobutyl acetate 
• 1070868-10-8 C₁₄H₂₂O₄ 
• 1082056-34-5 Bis(4-methoxyphenyl)methyl 4-acetoxybutyl ether 
• 807639-73-2 1-butanol,4-[2-(4-chloro-2-nitrophenyl)ethoxy]-, acetate(ester) 
• 114423-64-2 trans,trans-3-(10'-acetoxy-6'-decenyl)-1,2-bis<(dimethylthexylsilyl)oxy>cyclohexane 
• 693272-65-0 acetic acid 4-(biphenyl-4-yl-phenyl-methoxy)-butyl ester 
• 693272-66-1 acetic acid 4-(biphenyl-4-yl-diphenyl-methoxy)-butyl ester 
• 4753-59-7 4-Bromobutyl acetate 
• 6962-92-1 4-Chlorobutyl acetate 

Relevant articles and documents

METHOD FOR PRODUCING 1,3-BUTADIENE FROM 1,4-BUTANEDIOL

A method for producing 1,3-butadiene from a 1,4-butanediol feedstock: One step for esterification of 1,4-butanediol,One step for pyrolysis of 1,4-butanediol diester, producing butadiene.

Design of a highly active silver-exchanged phosphotungstic acid catalyst for glycerol esterification with acetic acid

A series of highly active, selective, and stable silver-exchanged phosphotungstic acid (AgPW) catalysts were prepared, characterized, and evaluated for bio-derived glycerol esterification with acetic acid to produce valuable biofuel additives. The structures, morphologies, acidities, and water tolerance of these samples were determined by FTIR, Raman, XRD, SEM-EDX, FT-IR of pyridine adsorption, and H2O-TPD. Several typical acidic catalysts were also performed for comparison. Among them, partially silver-exchanged phosphotungstic acid (Ag1PW) presented exceptionally high activity, with 96.8% conversion within just 15 min of reaction time and remarkable stability, due to the unique Keggin structure, high acidity as well as outstanding water-tolerance property. A plausible reaction mechanism was also proposed. In addition, this Ag1PW catalyst exhibited universal significance for esterification, holding great potential for a wide range of other acid-catalyzed reactions.

Tandem hydroformylation/hydrogenation of alkenes to normal alcohols using Rh/Ru dual catalyst or Ru single component catalyst

The catalyst system for tandem hydroformylation/hydrogenation of terminal alkenes to the corresponding homologated normal alcohol was developed. The reaction mechanism for the Rh/Ru dual catalyst was investigated by real-time IR monitoring experiments and 31P NMR spectroscopy, which proved the mutual orthogonality of Rh-catalyzed hydroformylation and Ru-catalyzed hydrogenation. Detailed investigation about Ru-catalyzed hydrogenation of undecanal under H2/CO pressure clarified different kinetics from the hydrogenation under H2 and gave a clue to design more active hydrogenation catalysts under H2/CO atmosphere. The solely Ru-catalyzed normal selective hydroformylation/hydrogenation is also reported.

Rational engineering of Candida antarctica lipase B for selective monoacylation of diols

The enzyme Candida antarctica lipase B was subjected to site directed mutagenesis suggested by molecular modelling. The selectivity for the enzyme increased towards a range of diols over their corresponding monoesters as an effect of the mutations. This journal is The Royal Society of Chemistry 2012.

Effects of acidity and immiscibility of lactam-based Bronsted-acidic ionic liquids on their catalytic performance for esterification

Several lactam-based Bronsted-acidic ionic liquids with different acidities were synthesized and applied to the esterification of carboxylic acids with alcohols. High conversion and perfect selectivity were obtained under mild conditions. Among the ionic liquids investigated, those having a methyl sulfonate anion (which has weaker acidity than those with a tetrafluoroborate anion) afforded the highest activity for esterification. The results indicated that the acidity and immiscibility of Bronsted-acidic ionic liquids has a synergistic effect on their esterification performance. Furthermore, after removal of water under vacuum, such ionic liquids could be reused several times without substantial loss of activity.

PROCESS FOR PREPARING 1,4-BUTANDIOL MONONITRATE

The present invention relates to a process for the preparation of 1,4-butanediol mononitrate as intermediate for large scale preparation of high purity nitrooxybutyl ester of pharmaceutically active compounds.

A mild and efficient acetylation of alcohols, phenols and amines with acetic anhydride using La(NO3)3·6H2O as a catalyst under solvent-free conditions

A wide variety of alcohols, phenols and amines are efficiently and selectively converted into the corresponding acetates by treatment with acetic anhydride in the presence of catalytic amounts of La(NO3)3·6H2O under solvent-free conditions at room temperature. The method is compatible with acid sensitive hydroxyl protecting groups such as TBDMS, THP, OBz, OBn, Boc and some isopropylidenes and offers excellent yields of the mono acetates of 1,3-, 1,4- and 1,5-diols.

Synthesis of a hydrogen-bond-degenerate tricyclic pyrrolopyrimidine nucleoside and of its 5′-triphosphate

The syntheses of a number of 7-(2-deoxyribofuranosyl)pyrrolo[2,3-d]pyrimidine derivatives are described. Of these the 2-methylsulfanyl-4-hydroxy-5-acetoxyethyl derivative 7 was conveniently formed by condensation of 2-methylsulfanyl-4-hydroxy-6-aminopyrimidine with 2-chloro-4-acetoxybutanal 6; it was then converted to the 4-chloro derivative 12 with phosphoryl trichloride and coupled to 3,5-di-p-toluoyl-2-deoxy-α-ribosyl chloride. Transformation to the 5-aminooxyethyl derivative and ring closure of the latter gave the tricyclic 2-(2-deoxyribosyl)-4-methylsulfonyl-7-oxa-2,3,5,6-tetraazabenz[cd]azulene. Hydrazinolysis of the methylsulfonyl residue, then mercury(II) oxide oxidation, led to the target nucleoside 4. For its study as a polymerase substrate for incorporation into DNA the 5′-triphosphate was synthesised.

Effective transformation of aldoximes to nitriles by dehydration with 2-methylene-1,3-dioxepane in the presence of a Lewis acid catalyst

The dehydration of aldoximes with 2-methylene-1,3-dioxepane (MDO) proceeds smoothly in the presence of a catalytic amount of Lewis acid such as scandium(III) triflate to give corresponding nitriles in moderate to high yields under mild conditions.