Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

Base Information

• Chemical Name: Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate
• CAS No.: 135908-33-7
• Molecular Formula: C10H17NO2
• Molecular Weight: 183.25
• DSSTox Substance ID: DTXSID90699306
• Nikkaji Number: J2.365.589F
• Wikidata: Q72438263
• Mol file: 135908-33-7.mol

Synonyms:135908-33-7;Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate;4-AMINOBICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID METHYL ESTER;MFCD20693756;Methyl4-Aminobicyclo[2.2.2]octane-1-carboxylate;SCHEMBL705019;DTXSID90699306;HDIKFAFEMDBXOS-UHFFFAOYSA-N;BCP08379;AKOS006324091;AKOS015919705;AM85053;SB13282;AC-31328;DS-15841;SY033764;CS-0032321;FT-0754773;EN300-268751;A1-01464;4-amino-Bicyclo[2.2.2]octane-1-carboxylic acid Methyl ester

Chemical Property of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

Chemical Property:

• Boiling Point: 241℃
• PKA: 10.38±0.40(Predicted)
• Flash Point: 107℃
• PSA: 52.32000
• Density: 1.162
• LogP: 1.91140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99%, ^*data from raw suppliers

4-Aminobicyclo[2.2.2]octane-1-carboxylicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C12CCC(CC1)(CC2)N

Technology Process of Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate

There total 3 articles about Methyl 4-aminobicyclo[2.2.2]octane-1-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: 99.0%

methyl 4-(((benzyloxy)carbonyl)amino)bicyclo[2.2.2]octane-1-carboxylate (862501-91-5) → methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate hydrochloride (135908-33-7)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; for 3h;

DOI:10.1016/j.bmcl.2006.07.062

Reference yield: 12.0%

methyl 4-(benzyloxycarbonylamino)bicyclo[2.2.2]octane-1-carboxylate → methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate hydrochloride (135908-33-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 48h; under 760.051 Torr;

Reference yield:

bicyclo[2.2.2]octane-1,4-dicarboxylic acid monomethyl ester (18720-35-9) → methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate hydrochloride (135908-33-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / DPPA; Et₃N / toluene / 12 h / Heating

2: 99 percent / H₂ / Pd(OH)2/C / methanol / 3 h

With diphenyl-phosphinic acid; hydrogen; triethylamine; palladium dihydroxide; In methanol; toluene; 1: Curtius rearrangement;

DOI:10.1016/j.bmcl.2006.07.062

upstream raw materials:

methyl 4-(((benzyloxy)carbonyl)amino)bicyclo[2.2.2]octane-1-carboxylate

bicyclo[2.2.2]octane-1,4-dicarboxylic acid monomethyl ester

Downstream raw materials:

4-[4-(tert-butyl-diphenyl-silanyloxymethyl)-3,3-dimethyl-2-oxo-pyrrolidin-1-yl]-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester

methyl 4-(4'-tert-butylbiphenyl-2-ylcarboxamido)bicyclo[2.2.2]octane-1-carboxylate

C₁₉H₂₆N₂O₃

methyl 4-((tert-butoxycarbonyl)amino)bicyclo[2.2.2]octane-1-carboxylate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 135908-33-7 4-AMINOBICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID METHYL ESTER

Send

Send

Metric Ton KG G Pound L ML

Send

Send