Mannitol, 1,6-diazido-, D-

Base Information

• Chemical Name: Mannitol, 1,6-diazido-, D-
• CAS No.: 52868-75-4
• Molecular Formula: C6H12N6O4
• Molecular Weight: 0
• Hs Code.: 2929909090
• DSSTox Substance ID: DTXSID20967328
• Nikkaji Number: J62.546I
• Wikidata: Q76003147
• Mol file: 52868-75-4.mol

Synonyms:Diazido-1,6 D-mannitol;52868-75-4;1,6-diazido-1,6-dideoxy-D-mannitol;MANNITOL, 1,6-DIAZIDO-, D-;(2R,3R,4R,5R)-1,6-diazidohexane-2,3,4,5-tetrol;SCHEMBL15879687;DTXSID20967328;1,6-Diazido-1,6-dideoxyhexitol;D-Mannitol, 1,6-diazido-1,6-dideoxy-;LS-89266

Chemical Property of Mannitol, 1,6-diazido-, D-

Chemical Property:

• PSA: 180.42000
• LogP: -2.04388
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 232.09200289
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(CN=[N+]=[N-])O)O)O)O)N=[N+]=[N-]
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@@H](CN=[N+]=[N-])O)O)O)O)N=[N+]=[N-]

Technology Process of Mannitol, 1,6-diazido-, D-

There total 5 articles about Mannitol, 1,6-diazido-, D- 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: 95.0%

1,6-diazido-1,6-dideoxy-3,4-O-methylethylidene-D-mannitol (52948-44-4) → 1,6-diazido-1,6-dideoxy-D-mannitol (52868-75-4)

Guidance literature:

With hydrogenchloride; water; at 20 ℃; for 20h;

DOI:10.1016/j.carres.2009.08.006

Reference yield: 67.0%

O1,O2;O3,O4;O5,O6-trisulfinyl-D-mannitol (722539-30-2) → 1,6-diazido-1,6-dideoxy-D-mannitol (52868-75-4)

Guidance literature:

O¹,O²;O³,O⁴;O⁵,O⁶-trisulfinyl-D-mannitol; With sodium azide; In N,N-dimethyl-formamide; at 130 ℃; for 0.25h;

With sodium methylate; In methanol; at 20 ℃; for 24h;

DOI:10.1081/CAR-120030470

Reference yield: 58.0%

O1,O2;O3,O4;O5,O6-trisulfinyl-D-mannitol (722539-30-2) → 1,6-diazido-1,6-dideoxy-D-mannitol (52868-75-4) + 1,6-diazido-1,6-dideoxy-3,4-O-sulfinyl-D-mannitol

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 90 ℃; for 2h;

DOI:10.1081/CAR-120030470

upstream raw materials:

2,3,4,5-tetra-O-acetyl-1,6-diazido-1,6-dideoxy-D-mannitol

O¹,O²;O³,O⁴;O⁵,O⁶-trisulfinyl-D-mannitol

2,3,4,5-Tetra-O-acetyl-1,6-di-O-methansulfonyl-D-mannit

1,6-diazido-1,6-dideoxy-3,4-O-methylethylidene-D-mannitol