Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Base Information Edit

Chemical Name:Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS No.:135367-08-7
Molecular Formula:C16H20BrNO2
Molecular Weight:338.244
Hs Code.:
UNII:C3MV2GV7R7
Wikipedia:RTI-51
Mol file:135367-08-7.mol

Synonyms:RTI 51;RTI-51;RTI51

Suppliers and Price of Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Edit

Chemical Property:

PSA：29.54000
LogP:3.12630
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:337.06774
Heavy Atom Count:20
Complexity:368

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Br)C(=O)OC
Isomeric SMILES:CN1[C@@H]2CC[C@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Br)C(=O)OC

Technology Process of Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

There total 10 articles about Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate 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: 100.0%

: 174224-35-2
2β-carbomethoxy-3β-(4'-trimethylsilylphenyl)tropane

: 135367-08-7
RTI 51

Guidance literature:: With N-chloro-succinimide; potassium bromide; In methanol; acetic acid; at 20 - 60 ℃; for 4.33h;

Reference yield:

: phenylmagnesium bromide

: 135367-08-7
3β-(4-bromophenyl)tropane-2β-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether / -20 °C

2: 84 percent / NO₂BF₄ / acetonitrile / 8 h / 0 °C

3: 77 percent / H₂ / Ra-Ni / methanol / Ambient temperature

4: 1.) NaNO₂, aq. AcOH, 2.) CuBr / 1.) 0 deg C, 0.5 h, 2.) AcOH, H₂O, a) 0 deg C, 0.5 h, b) RT, overnight

With nitronium tetrafluoborate; hydrogen; acetic acid; copper(I) bromide; sodium nitrite; Ra-Ni; In methanol; diethyl ether; acetonitrile;
DOI:10.1021/jm00113a008

Reference yield:

: 50373-10-9
(R)-(-)-anhydroecgonine methyl ester

: 135367-08-7
3β-(4-bromophenyl)tropane-2β-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether / -20 °C

2: 84 percent / NO₂BF₄ / acetonitrile / 8 h / 0 °C

3: 77 percent / H₂ / Ra-Ni / methanol / Ambient temperature

4: 1.) NaNO₂, aq. AcOH, 2.) CuBr / 1.) 0 deg C, 0.5 h, 2.) AcOH, H₂O, a) 0 deg C, 0.5 h, b) RT, overnight

With nitronium tetrafluoborate; hydrogen; acetic acid; copper(I) bromide; sodium nitrite; Ra-Ni; In methanol; diethyl ether; acetonitrile;
DOI:10.1021/jm00113a008