tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Base Information

• Chemical Name: tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
• CAS No.: 799283-62-8
• Molecular Formula: C₁₃H₂₃NO₃
• Molecular Weight: 241.331
• DSSTox Substance ID: DTXSID00705326
• Mol file: 799283-62-8.mol

Synonyms:799283-62-8;tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-Butyl 3-(hydroxymethyl)-8-azabicyclo-[3.2.1]octane-8-carboxylate;N-Boc-3-Hydroxymethyl-8-azabicyclo[3.2.1]octane;SCHEMBL1011931;SCHEMBL12017224;DTXSID00705326;WPHYDBXMMSEFTR-UHFFFAOYSA-N;AMY34117;YKA37639;ZGB28362;MFCD12068417;AKOS022173036;PB21249;SB40617;AS-37159;EN300-261932;A914541;endo-8-Boc-8-azabicyclo[3.2.1]octane-3-methanol;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]-octane-8-carboxylate;tert-Butyl3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;8-?Azabicyclo[3.2.1]?octane-?8-?carboxylic acid, 3-?(hydroxymethyl)?-?, 1,?1-?dimethylethyl ester, (3-?endo)?-

Chemical Property of tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Chemical Property:

• PSA: 49.77000
• LogP: 2.09470
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.16779360
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3-(hydroxymethyl)-8-azabicyclo-[3.2.1]octane-8-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C2CCC1CC(C2)CO

Technology Process of tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

There total 4 articles about tert-Butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-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: 67.0%

tert-butyl 3-methylene-8-azabicyclo[3.2.1]octane-8-carboxylate (273207-57-1) → tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (799283-62-8)

Guidance literature:

tert-butyl 3-methylene-8-azabicyclo[3.2.1]octane-8-carboxylate; With borane-THF; In tetrahydrofuran; at 0 - 15 ℃; for 16h;

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; water; at 0 - 15 ℃; for 2h;

Reference yield:

8-(tert-butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid (1159826-74-0) → tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (799283-62-8)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 25 ℃; for 16h; Inert atmosphere;

Reference yield:

Boc-tropinone (185099-67-6) → tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (799283-62-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / ethanol; 1,2-dimethoxyethane / 16 h / 0 - 60 °C / Inert atmosphere

2: potassium hydroxide; water / ethanol / 4 h / 80 °C

3: dimethylsulfide borane complex / tetrahydrofuran / 16 h / 0 - 25 °C / Inert atmosphere

With dimethylsulfide borane complex; potassium tert-butylate; water; potassium hydroxide; In tetrahydrofuran; 1,2-dimethoxyethane; ethanol;

upstream raw materials:

tert-butyl 3-methylene-8-azabicyclo[3.2.1]octane-8-carboxylate

Boc-tropinone

3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

8-(tert-butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid

Downstream raw materials:

(1S,3R,5R)-3-Formyl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

(1S,3S,5R)-3-formyl-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

8-azabicyclo[3.2.1]octan-3-ylmethanol

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