3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-

Base Information

Chemical Name:3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-
CAS No.:86215-50-1
Molecular Formula:C12H14BrNO
Molecular Weight:268.153
Hs Code.:
DSSTox Substance ID:DTXSID90431248
ChEMBL ID:CHEMBL1191408

Synonyms:86215-50-1;3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-;SCHEMBL4714718;CHEMBL1191408;DTXSID90431248

Suppliers and Price of 3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-

Supply Marketing:

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

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Chemical Property of 3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:267.02588
Heavy Atom Count:15
Complexity:260

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C23CC2CNC3)Br

Technology Process of 3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-

There total 5 articles about 3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)- 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: 43.0%

: 66504-79-8
1-(3-Brom-4-methoxyphenyl)-1,2-cyclopropandicarboximid

: 86215-50-1
(+/-)-1-(3-bromo-4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane

Guidance literature:: With borane; In tetrahydrofuran; at 100 ℃; for 1h;
DOI:10.1021/jm00137a002

Reference yield:

: 19626-36-9
methyl 2-(3-bromo-4-methoxyphenyl)acetate

: 86215-50-1
(+/-)-1-(3-bromo-4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane

Guidance literature:: Multi-step reaction with 5 steps

1: 70 percent / NBS, 48percent aq. HBr / CCl₄ / Heating

2: 30 percent / NaOMe / diethyl ether / 24 h / Ambient temperature

3: 44 percent / KOH / ethanol; H₂O / 6 h / Heating

4: 51 percent / urea / xylene / Heating

5: 43 percent / BH₃ / tetrahydrofuran / 1 h / 100 °C

With potassium hydroxide; N-Bromosuccinimide; borane; hydrogen bromide; sodium methylate; urea; In tetrahydrofuran; tetrachloromethane; diethyl ether; ethanol; water; xylene;
DOI:10.1021/jm00137a002

Reference yield:

: 69810-39-5
bromo-(3-bromo-4-methoxy-phenyl)-acetic acid methyl ester

: 86215-50-1
(+/-)-1-(3-bromo-4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane

Guidance literature:: Multi-step reaction with 4 steps

1: 30 percent / NaOMe / diethyl ether / 24 h / Ambient temperature

2: 44 percent / KOH / ethanol; H₂O / 6 h / Heating

3: 51 percent / urea / xylene / Heating

4: 43 percent / BH₃ / tetrahydrofuran / 1 h / 100 °C

With potassium hydroxide; borane; sodium methylate; urea; In tetrahydrofuran; diethyl ether; ethanol; water; xylene;
DOI:10.1021/jm00137a002