(1R,2R,3R,5R,6R)-2-Amino-3-((3,4-dichlorobenzyl)oxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Base Information

Chemical Name:(1R,2R,3R,5R,6R)-2-Amino-3-((3,4-dichlorobenzyl)oxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CAS No.:569686-87-9
Molecular Formula:C15H14Cl2FNO5
Molecular Weight:378.184
Hs Code.:
UNII:M8KC1PQ31A
DSSTox Substance ID:DTXSID40432407
Nikkaji Number:J2.017.681D
Wikipedia:MGS-0039
Wikidata:Q6715776
Pharos Ligand ID:TWW9VSWWBD3J
ChEMBL ID:CHEMBL186453

Synonyms:2-amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo(3.1.0)hexane-2,6-dicarboxylic acid;MGS 0039;MGS-0039;MGS0039

Suppliers and Price of (1R,2R,3R,5R,6R)-2-Amino-3-((3,4-dichlorobenzyl)oxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Supply Marketing:

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

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Chemical Property of (1R,2R,3R,5R,6R)-2-Amino-3-((3,4-dichlorobenzyl)oxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Chemical Property:

PSA：109.85000
LogP:2.80360
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:377.0233061
Heavy Atom Count:24
Complexity:566

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(C2(C(=O)O)F)C(C1OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N
Isomeric SMILES:C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N

Technology Process of (1R,2R,3R,5R,6R)-2-Amino-3-((3,4-dichlorobenzyl)oxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

There total 19 articles about (1R,2R,3R,5R,6R)-2-Amino-3-((3,4-dichlorobenzyl)oxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 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: 62.0%

: 569687-12-3
(+)-(1R,2R,3R,5R,6R)-2-amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester

: 569686-87-9
MGS0039

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 192h;
DOI:10.1021/jm0400294

Reference yield:

: 1308835-53-1
(1R,2S,3R,5R,6R)-2-amino-2-cyano-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-6-carboxamide

: 569686-87-9
MGS0039

Guidance literature:: With hydrogenchloride; water; In acetic acid; at 75 ℃; for 31h;

Reference yield:

: 1308835-69-9
(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-2,6-dicarboxamide

: 569686-87-9
MGS0039

Guidance literature:: (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-2,6-dicarboxamide; With water; sodium hydroxide; In ethanol; at 20 - 75 ℃; for 22h;

With hydrogenchloride; In ethanol; water; at 20 ℃; for 4h; Cooling with ice;