6-Azabicyclo[3.1.0]hexane-2,3-diol, 4-(hydroxymethyl)-, (1R,2R,3R,4R,5R)-(9CI)

Base Information

• Chemical Name: 6-Azabicyclo[3.1.0]hexane-2,3-diol, 4-(hydroxymethyl)-, (1R,2R,3R,4R,5R)-(9CI)
• CAS No.: 540776-09-8
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.15644
• DSSTox Substance ID: DTXSID40452448
• Nikkaji Number: J1.870.266E
• Wikidata: Q82273092
• Mol file: 540776-09-8.mol

Synonyms:540776-09-8;6-Azabicyclo[3.1.0]hexane-2,3-diol, 4-(hydroxymethyl)-, (1R,2R,3R,4R,5R)- (9CI);DTXSID40452448;AKOS006379964;(1alpha,5alpha)-4beta-(Hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2beta,3alpha-diol

Chemical Property of 6-Azabicyclo[3.1.0]hexane-2,3-diol, 4-(hydroxymethyl)-, (1R,2R,3R,4R,5R)-(9CI)

Chemical Property:

• PSA: 82.63000
• LogP: -2.00050
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C2C(N2)C(C1O)O)O
• Isomeric SMILES: C([C@H]1[C@@H]2[C@@H](N2)[C@H]([C@@H]1O)O)O

Technology Process of 6-Azabicyclo[3.1.0]hexane-2,3-diol, 4-(hydroxymethyl)-, (1R,2R,3R,4R,5R)-(9CI)

There total 27 articles about 6-Azabicyclo[3.1.0]hexane-2,3-diol, 4-(hydroxymethyl)-, (1R,2R,3R,4R,5R)-(9CI) 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: 83.0%

(1S)-N-benzyl-2-exo,3-endo-2,3-dihydroxy-4-endo-4-hydroxymethyl-6-azabicyclo[3.1.0]hexane (540776-28-1) → (1S)-2-exo,3-endo-2,3-dihydroxy-4-endo-4-hydroxymethyl-6-azabicyclo[3.1.0]hexane (540776-10-1,540776-09-8)

Guidance literature:

With hydrogen; 10percent Pd/C; In ethanol; at 20 ℃; for 0.166667h; under 760.051 Torr;

DOI:10.1039/b210038j

Reference yield: 66.0%

(1R,2S,3S,4S,5R)-2,3-bis(benzyloxy)-4-((benzyloxy)methyl)-6-azabicyclo[3.1.0]hexane → (1R,2S,3S,4S,5R)-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol (540776-09-8)

Guidance literature:

With ammonia; lithium; In tetrahydrofuran; at -60 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jacs.9b11351

Reference yield: 57.0%

(1R)-N-benzyl-2-endo,3-exo-2,3-dihydroxy-4-endo-4-hydroxymethyl-6-azabicyclo[3.1.0]hexane (540776-14-5) → (1R)-2-endo,3-exo-2,3-dihydroxy-4-endo-4-hydroxymethyl-6-azabicyclo[3.1.0]hexane (540776-09-8)

Guidance literature:

With hydrogen; 10percent Pd/C; In water; at 20 ℃; for 0.333333h; under 760.051 Torr;

DOI:10.1039/b210038j

upstream raw materials:

(1R)-N-benzyl-2-endo,3-exo-2,3-dihydroxy-4-endo-4-hydroxymethyl-6-azabicyclo[3.1.0]hexane

3,4-di-O-benzoyl-6-deoxy-6-iodo-2-O-p-toluenesulfonyl-α-D-glucopyranoside

(2R,3S,4R)-3,4-bis-O-benzoyloxy-2-O-toluene-p-sulfonylhex-5-enal

(1R)-2-endo,3-exo-2,3-bis(benzoyloxy)-N-benzyl-4-endo-4-hydroxymethyl-6-azabicyclo[3.1.0]hexane

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