Einecs 254-989-0

Base Information

Chemical Name:Einecs 254-989-0
CAS No.:40591-65-9
Molecular Formula:C15H22 N2 O9 S . Br H
Molecular Weight:487.326
Hs Code.:
NSC Number:409734,129246
DSSTox Substance ID:DTXSID00961001
Mol file:40591-65-9.mol

Synonyms:NSC 409734;EINECS 254-989-0;2,3,4,6-Tetra-O-acetyl-1-carbamimidoyl-1-thio-beta-D-glucopyranosemonohydrobromide;Diethyl4-methoxybenzalmalonate;DTXSID00961001;[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-carbamimidoylsulfanyloxan-2-yl]methyl acetate;hydrobromide;NSC129246;NSC409734;NSC-129246;NSC-409734;BS-25070;FT-0674894;FT-0674902;2,3,4,6-Tetra-O-acetyl-1-S-carbamimidoyl-1-thiohexopyranose--hydrogen bromide (1/1)

Suppliers and Price of Einecs 254-989-0

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)thiopseudoUreaHydrobromide
10g
$ 1230.00

American Custom Chemicals Corporation
2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREA HYDROBROMIDE 95.00%
10G
$ 2333.10

American Custom Chemicals Corporation
2-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-THIOPSEUDOUREA HYDROBROMIDE 95.00%
1G
$ 739.20

Total 20 raw suppliers

Chemical Property of Einecs 254-989-0

Chemical Property:

Appearance/Colour:White Crystalline Solid
Melting Point:205-216°C
Boiling Point:490.9 °C at 760 mmHg
Flash Point:250.7 °C
PSA：189.60000
Density:1.49g/cm³
LogP:1.45430
Solubility.:Chloroform, Dichloromethane, Ethanol, Methanol
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:486.03076
Heavy Atom Count:28
Complexity:612

Purity/Quality:

99%, ^*data from raw suppliers

2-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)thiopseudoUreaHydrobromide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1C(C(C(C(O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br
Uses 2-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)thiopseudo Urea Hydrobromide (cas# 40591-65-9) is a compound useful in organic synthesis.

Technology Process of Einecs 254-989-0

There total 18 articles about Einecs 254-989-0 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 17356-08-0
thiourea

: 572-09-8
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

: 40591-65-9
2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiouronium bromide

Guidance literature:: In acetone; at 60 ℃; Inert atmosphere; Reflux;
DOI:10.3987/COM-20-S(K)73

Reference yield: 88.0%

: 17356-08-0
thiourea

: 3068-32-4
1-bromo-1-deoxy-2,3,4,6-tetra-O-acetyl-a-D-galactopyranoside

: 40591-65-9,51224-13-6,51898-28-3,57030-42-9,106818-92-2
2,3,4,6-tetra-O-acetylgalactopyranosyl-1-β-pseudothiourea hydrobromide

Guidance literature:: In acetone; for 0.05h; microwave irradiation;
DOI:10.1080/07328300500282540

Reference yield: 76.0%

: 10257-28-0
D-Galactose

: 108-24-7
acetic anhydride

: 17356-08-0
thiourea

: 40591-65-9,51224-13-6,51898-28-3,57030-42-9,106818-92-2
2,3,4,6-tetra-O-acetylgalactopyranosyl-1-β-pseudothiourea hydrobromide

Guidance literature:: D-Galactose; acetic anhydride; With perchloric acid; at 20 - 25 ℃; for 1.5h;

With hydrogen bromide; at 15 ℃; for 1h;

thiourea; In acetonitrile; at 60 - 70 ℃; for 0.5h;