CID 18600968

Base Information

• Chemical Name: CID 18600968
• CAS No.: 38819-01-1
• Molecular Formula: C₂₄H₄₂O₂₁
• Molecular Weight: 666.585
• Hs Code.: 29400090
• Metabolomics Workbench ID: 62533
• Mol file: 38819-01-1.mol

Synonyms:cellotetraose;cellotetrose

Chemical Property of CID 18600968

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 252°C dec.
• Boiling Point: 1116.9°Cat760mmHg
• PKA: 12.39±0.20(Predicted)
• Flash Point: 361.1°C
• PSA: 347.83000
• Density: 1.79g/cm³
• LogP: -9.74880
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 25 mg/mL, clear, colorless
• Water Solubility.: Soluble at 25mg/ml in water
• XLogP3: -9
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 666.22185834
• Heavy Atom Count: 45
• Complexity: 918

Purity/Quality:

98%, ^*data from raw suppliers

D-Cellotetraose ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O
• Isomeric SMILES: C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)O[C@H]3[C@@H](O[C@H]([C@H]([C@@H]3O)O)O[C@H]4[C@@H](OC([C@H]([C@@H]4O)O)O)CO)CO)CO)O)O)O)O
• Uses: D-(+)-Cellotetraose (cas# 38819-01-1) is a compound useful in organic synthesis.

Technology Process of CID 18600968

There total 13 articles about CID 18600968 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: 50.0%

Pinus cellulose → cellotriose (33404-34-1) + 5-hydroxymethyl-2-furfuraldehyde (67-47-0) + D-glucose (50-99-7) + cellotetraose (6918-41-8,34612-38-9,38819-01-1,51327-76-5,51841-90-8,59862-03-2,60755-09-1,60755-10-4,61237-57-8,70399-65-4,72165-13-0,73062-57-4,95336-74-6,102031-44-7,107595-47-1,146491-17-0,150668-99-8) + cellobiose (528-50-7)

Guidance literature:

Pinus cellulose; With choline chloride; oxalic acid; 1-butyl-3-methylimidazolium chloride; at 120 ℃; for 6h;

With water; at 120 ℃; for 4h;

DOI:10.1002/open.201900283

Reference yield: 46.0%

Pinus cellulose, unbleached → cellotriose (33404-34-1) + 5-hydroxymethyl-2-furfuraldehyde (67-47-0) + D-glucose (50-99-7) + cellotetraose (6918-41-8,34612-38-9,38819-01-1,51327-76-5,51841-90-8,59862-03-2,60755-09-1,60755-10-4,61237-57-8,70399-65-4,72165-13-0,73062-57-4,95336-74-6,102031-44-7,107595-47-1,146491-17-0,150668-99-8) + cellobiose (528-50-7)

Guidance literature:

Pinus cellulose, unbleached; With choline chloride; oxalic acid; 1-butyl-3-methylimidazolium chloride; at 120 ℃; for 6h;

With water; at 120 ℃; for 4h;

DOI:10.1002/open.201900283

Reference yield: 31.0%

cellulose, microcrystalline → cellotriose (33404-34-1) + 5-hydroxymethyl-2-furfuraldehyde (67-47-0) + D-glucose (50-99-7) + cellotetraose (6918-41-8,34612-38-9,38819-01-1,51327-76-5,51841-90-8,59862-03-2,60755-09-1,60755-10-4,61237-57-8,70399-65-4,72165-13-0,73062-57-4,95336-74-6,102031-44-7,107595-47-1,146491-17-0,150668-99-8) + cellobiose (528-50-7)

Guidance literature:

With choline chloride; oxalic acid; 1-butyl-3-methylimidazolium chloride; at 120 ℃; for 6h; Sealed tube;

DOI:10.1002/open.201900283

upstream raw materials:

D-glucose

cellotriose

cellobiose

cellopentaose

Downstream raw materials:

D-glucose

cellotriose

cellobiose

Refernces

• 1、 Yuan, Ye,Xu, Fenghua,Yao, Jianzhuang,Hu, Yanho,Wang, Jiao,Zhao, Tianjiao,Zhou, Yifa,Gao, Juan. "Cloning, expression and biochemical characterization of a GH1 β-glucosidase from Cellulosimicrobium cellulans". . p. 362 - 371. Retrieved 2017/11/03.