N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea

Base Information

Chemical Name:N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea
CAS No.:81827-18-1
Molecular Formula:C₁₃H₂₄N₂O₆S
Molecular Weight:336.409
Hs Code.:
DSSTox Substance ID:DTXSID101002256
Mol file:81827-18-1.mol

Synonyms:81827-18-1;N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea;N'-(beta-D-Galactopyranosyl)-N-(2-methyl-4-oxo-2-pentyl)thiourea;Thiourea, N-(1,1-dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosyl-;DTXSID101002256;LS-153511;N-{[(2-Methyl-4-oxopentan-2-yl)amino](sulfanyl)methylidene}hexopyranosylamine

Suppliers and Price of N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea

Chemical Property:

Vapor Pressure:3.51E-14mmHg at 25°C
Boiling Point:545.7°C at 760 mmHg
Flash Point:283.8°C
PSA：170.41000
Density:1.39g/cm³
LogP:-1.18970
XLogP3:-1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:336.13550766
Heavy Atom Count:22
Complexity:419

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC(C)(C)NC(=S)NC1C(C(C(C(O1)CO)O)O)O
Isomeric SMILES:CC(=O)CC(C)(C)NC(=S)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

Technology Process of N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea

There total 3 articles about N-(1,1-Dimethyl-3-oxobutyl)-N'-beta-D-galactopyranosylthiourea 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:

: 83323-90-4
N₁-(2',3',4',6'-Tetra-O-acetyl-β-D-galactopyranosyl)-N₃-(4-methyl-2-oxo-4-pentyl)thiourea

: 81827-18-1
N¹-<β-D-Galactopyranosyl>-N³-(2-methyl-4-oxopentyl-2)thiourea

Guidance literature:: With sodium methylate; In methanol; at 20 ℃; for 1h; Yield given;
DOI:10.1007/BF00506158

Reference yield:

: 14152-97-7,18866-59-6,93221-21-7,121959-10-2,121959-11-3,122564-52-7,41135-18-6
2,3,4,6-tetra-O-Acetyl-β-D-galactopyranosyl isothiocyanate

: 81827-18-1
N¹-<β-D-Galactopyranosyl>-N³-(2-methyl-4-oxopentyl-2)thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / benzene / 0.5 h

2: Sodium methoxide / methanol / 1 h / 20 °C

With sodium methylate; In methanol; benzene;
DOI:10.1007/BF00506158

Reference yield:

: 625-04-7
4-amino-4-methylpentan-2-one

: 81827-18-1
N¹-<β-D-Galactopyranosyl>-N³-(2-methyl-4-oxopentyl-2)thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / benzene / 0.5 h

2: Sodium methoxide / methanol / 1 h / 20 °C

With sodium methylate; In methanol; benzene;
DOI:10.1007/BF00506158