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254509

Trimethyl orthobutyrate

Name: Trimethyl orthobutyrate
Brand: ALDRICH

97%

Synonym(s):

1,1,1-Trimethoxybutane

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About This Item

Linear Formula:

CH₃CH₂CH₂C(OCH₃)₃

CAS Number:

43083-12-1

Molecular Weight:

148.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855388

EC Number:

256-079-9

Beilstein/REAXYS Number:

1737319

MDL number:

MFCD00008480

Assay:

97%

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Properties

assay

97%

refractive index

n20/D 1.404 (lit.)

bp

145-147 °C (lit.)

density

0.926 g/mL at 25 °C (lit.)

functional group

ether

SMILES string

CCCC(OC)(OC)OC

InChI

1S/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3

InChI key

JAFMOTJMRSZOJE-UHFFFAOYSA-N

Description

General description

Kinetics and mechanism of gas-phase elimination of trimethyl orthobutyrate has been examined over the temperature range of 310-369°C and pressure range of 50-130Torr.

Application

Trimethyl orthobutyrate has been used in the preparation of:

5-acetamido-9-O-butyroyl-3,5-dideoxy-D-glycero-2-nonulo pyranosonic acid
9-O-butyroyl-3,5-dideoxy-5-glycoloylamido-D-glycero-2-nonulo pyranosonic acid

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pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H315,H319,H335

pcodes

P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

122.0 °F - closed cup

flash_point_c

50 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Synthesis of 9-O-acyl- and 4-O-acetyl-sialic acids.

H Ogura et al.

Carbohydrate research, 167, 77-86 (1987-09-15)

Various 9-O-acyl derivatives of N-acetyl- and N-glycoloyl-neuraminic acid, and O-(5-acetamido-3,5-dideoxy-D-glycero-alpha- and beta-D-galacto-2-nonulopyranosylonic acid)-(2----6)-O-beta-D-galactopyranosyl-(1----4)-D-glucopyranose were regioselectively synthesized by use of ortho esters. In addition, 5-acetamido-4-O-acetyl-D-glycero-D-galacto-2-nonulopyranosonic acid was prepared starting from the benzyl and methyl esters of N-acetylneuraminic acid.

Kinetics and mechanisms of the homogeneous, unimolecular gas-phase elimination of trimethyl orthoacetate and trimethyl orthobutyrate.

Edgar Márquez et al.

The journal of physical chemistry. A, 112(47), 12140-12142 (2008-11-01)

The gas-phase elimination kinetics of the title compounds have been examined over the temperature range of 310-369 degrees C and pressure range of 50-130 Torr. The reactions, in seasoned vessels, are homogeneous, unimolecular, and follow a first-order rate law. The

Global Trade Item Number

SKU	GTIN
254509-25G	04061837007323