136345-76-1

Basic information

• Product Name: 2-Chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosy l-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)- O-alpha-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside
• Synonyms: 2-Chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosy l-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)- O-alpha-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside;3-ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside
• CAS NO: 136345-76-1
• Molecular Formula: C₄₀H₅₈ClNO₂₉
• Molecular Weight: 1052.33082
• Mol File: 136345-76-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 1278.8°Cat760mmHg
• Flash Point: 727.2°C
• Appearance: /
• Density: 1.77g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.681
• CAS DataBase Reference: 2-Chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosy l-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)- O-alpha-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosy l-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)- O-alpha-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside(136345-76-1)
• EPA Substance Registry System: 2-Chloro-4-nitrophenyl O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosy l-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)- O-alpha-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside(136345-76-1)

Safety Data

• Hazardous Substances Data: 136345-76-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C40H58ClNO29/c1-11(47)4-20-60-10-19-35(67-20)25(52)30(57)40(66-19)71-34-18(9-46)65-39(29(56)24(34)51)70-33-17(8-45)64-38(28(55)23(33)50)69-32-16(7-44)63-37(27(54)22(32)49)68-31-15(6-43)62-36(26(53)21(31)48)61-14-3-2-12(42(58)59)5-13(14)41/h2-3,5,15-40,43-46,48-57H,4,6-10H2,1H3/t15-,16-,17-,18-,19-,20?,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m1/s1

Upstream product

• 4652-27-1 4-methoxy-3-buten-2-one 
• 99304-80-0 2-chloro-4-nitrophenyl-β-maltopentoside 
• 143206-27-3 2-chloro-4-nitrophenyl β-maltoside 

Relevant articles and documents

Enzymatic synthesis of 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltopentaoside, a substrate for alpha-amylase.

A transglycosylation reaction with 2-chloro-4-nitrophenyl beta-maltoside as an acceptor was done with 4,6-O-3-ketobutylidene maltopentaose and Bacillus macerans cyclodextrin glucanotransferase in an aqueous solution containing 50% n-propanol, and there were two main transglycosylation products. They were identified as 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltopentaoside and 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltohexaoside, and their yields were 30% and 21% respectively on the basis of the decrease of 4,6-O-3-ketobutylidene maltopentaose. For the production of 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltopentaoside at high substrates concentrations, the addition of n-propanol in this reaction not only increased the solubility of 2-chloro-4-nitrophenyl beta-maltoside sufficiently but also suppressed side reactions.