Cellobiotol

Base Information

• Chemical Name: Cellobiotol
• CAS No.: 535-94-4
• Molecular Formula: C12H24 O11
• Molecular Weight: 344.316
• Hs Code.: 2940000080
• Nikkaji Number: J610.619F
• Metabolomics Workbench ID: 49889
• ChEMBL ID: CHEMBL3039116
• Mol file: 535-94-4.mol

Synonyms:cellobiotol

Chemical Property of Cellobiotol

Chemical Property:

• Vapor Pressure: 9.8E-29mmHg at 25°C
• Boiling Point: 788.5°C at 760 mmHg
• Flash Point: 430.7°C
• PSA: 200.53000
• Density: 1.69g/cm³
• LogP: -5.76120
• XLogP3: -5.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 344.13186158
• Heavy Atom Count: 23
• Complexity: 343

Purity/Quality:

99%, ^*data from raw suppliers

Cellobiitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O

Technology Process of Cellobiotol

There total 20 articles about Cellobiotol 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: 99.9%

→ lactitol (499-16-1,535-94-4,585-86-4,585-88-6,6918-47-4,20237-67-6,20237-68-7,33904-37-9,53776-84-4,53796-37-5,64162-62-5,75828-94-3,75828-95-4,79355-25-2,93779-28-3,148346-84-3,148346-85-4)

Guidance literature:

Reference yield: 57.0%

Cellobiose (13360-52-6) → β-D-glucose (492-61-5) + D-sorbitol (50-70-4) + β-D-Glcp-(1->4)-D-glucitol (535-94-4)

Guidance literature:

With water; hydrogen; at 180 ℃; for 1h; under 37503.8 Torr; High pressure;

DOI:10.1007/s11426-018-9321-0

Reference yield: 50.0%

Cellobiose (13360-52-6) → D-sorbitol (50-70-4) + β-D-Glcp-(1->4)-D-glucitol (535-94-4)

Guidance literature:

With water; hydrogen; at 180 ℃; for 5h; under 22502.3 Torr; Pressure; High pressure;

DOI:10.1007/s11426-018-9321-0

upstream raw materials:

Cellobiose

cellobiose

lactobionolactone

water

Downstream raw materials:

Acetic acid (2R,3S,4R,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(1R,2R,3S)-2,3,4-triacetoxy-1-((R)-1,2-diacetoxy-ethyl)-butoxy]-tetrahydro-pyran-3-yl ester

(3R,6S)-hexahydrofuro[3,2-b]furan-3,6-diol

1,4-anhydro-D-mannitol

1,4-anhydro-D-glucitol

Refernces

• 1、 Zada, Bakht,Yan, Long,Fu, Yao. "Effective conversion of cellobiose and glucose to sorbitol using non-noble bimetallic NiCo/HZSM-5 catalyst". . p. 1167 - 1174. Retrieved 2018/08/17.
• 2、 Liu, Mi,Deng, Weiping,Zhang, Qinghong,Wang, Yanliang,Wang, Ye. "Polyoxometalate-supported ruthenium nanoparticles as bifunctional heterogeneous catalysts for the conversions of cellobiose and cellulose into sorbitol under mild conditions". supporting information; experimental part. p. 9717 - 9719. Retrieved 2011/10/12.