3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Base Information

• Chemical Name: 3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione
• CAS No.: 73799-63-0
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.225
• Hs Code.: 2925190090
• European Community (EC) Number: 661-090-0
• DSSTox Substance ID: DTXSID50377512
• ChEMBL ID: CHEMBL5019941
• Mol file: 73799-63-0.mol

Synonyms:3-benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione;73799-63-0;3-benzyl-3-azabicyclo(3.1.0)hexane-2,4-dione;SCHEMBL1023519;CHEMBL5019941;DTXSID50377512;JEISWFNRNZRSHM-UHFFFAOYSA-N;YCA79963;MFCD00158669;AKOS005073491;MS-5003;AM804299;B6094;CS-0141450;3-benzyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione;3-(Benzyl)-3-azabicyclo(3.1.0)hexan-2,4-dione;3-(benzyl)-3-azabicyclo(3.1.0)hexane-2,4-dione;J-511756;Z1325712022

Chemical Property of 3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Chemical Property:

• Melting Point: 92-5°C
• PSA: 37.38000
• LogP: 1.12940
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C1C(=O)N(C2=O)CC3=CC=CC=C3

Technology Process of 3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione

There total 11 articles about 3-Benzyl-3-azabicyclo[3.1.0]hexane-2,4-dione 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: 90.0%

cis-1,2-cyclopropanedicarboxylic acid anhydride + benzylamine (100-46-9) → 3-benzyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione (73799-63-0)

Guidance literature:

at 180 ℃; for 2h;

Reference yield: 89.6%

3-oxabicyclo[3.1.0]hexane-2,4-dione (5617-74-3) + benzylamine (100-46-9) → 3-benzyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione (73799-63-0)

Guidance literature:

With dmap; acetic acid; at 100 ℃; for 40h; Inert atmosphere;

Reference yield: 83.0%

3-aza-bicyclo[3.1.0]hexane-2,4-dione (5617-69-6) + benzylamine (100-46-9) → 3-benzyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione (73799-63-0)

Guidance literature:

at 170 ℃; for 1.5h; Cooling with ice;

upstream raw materials:

3-oxabicyclo[3.1.0]hexane-2,4-dione

benzylamine

cis-1,2-cyclopropanedicarboxylic acid

cis-cyclopropane-1,2-dicarboxylic acid diethyl ester

Downstream raw materials:

3-benzyl-3-azabicyclo[3.1.0]hexane hydrochloride

3-(8-(6-(3-aza-bicyclo[3.1.0]hexan-3-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid

methyl 3-(8-(6-(3-aza-bicyclo[3.1.0]hexan-3-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate

3-benzyl-2-methyl-3-azabicyclo[3.1.0]hexane