1-(tert-Butyl)3-methylbicyclo[1.1.1]pentane-1,3-dicarboxylate

Base Information

• Chemical Name: 1-(tert-Butyl)3-methylbicyclo[1.1.1]pentane-1,3-dicarboxylate
• CAS No.: 138732-31-7
• Molecular Formula: C₁₂H₁₈O₄
• Molecular Weight: 226.273
• Hs Code.: 2917200090
• Mol file: 138732-31-7.mol

Synonyms:Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid tert-butyl ester methyl ester;

Chemical Property of 1-(tert-Butyl)3-methylbicyclo[1.1.1]pentane-1,3-dicarboxylate

Chemical Property:

• PSA: 52.60000
• LogP: 1.67140

Purity/Quality:

97% ^*data from raw suppliers

Bicyclo[1.1.1]pentane-1,3-dicarboxylicacid,tert-butylstermethylester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(tert-Butyl)3-methylbicyclo[1.1.1]pentane-1,3-dicarboxylate

There total 3 articles about 1-(tert-Butyl)3-methylbicyclo[1.1.1]pentane-1,3-dicarboxylate 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:

di-tert-butyl dicarbonate (24424-99-5) + 3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid (83249-10-9) → 1-t-butyl 3-methyl bicyclo<1.1.1>pentane-1,3-dicarboxylate (138732-31-7)

Guidance literature:

With dmap; In tert-butyl alcohol; at 50 ℃; for 20h;

Reference yield:

3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid (83249-10-9) → 1-t-butyl 3-methyl bicyclo<1.1.1>pentane-1,3-dicarboxylate (138732-31-7)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 1.5 h / Heating

2: pyridine / diethyl ether / 20 h / Ambient temperature

With pyridine; thionyl chloride; In diethyl ether;

Reference yield:

methyl 3-(chlorocarbonyl)bicyclo<1.1.1>pentane-1-carboxylate (110371-22-7) + tert-butyl alcohol (75-65-0) → 1-t-butyl 3-methyl bicyclo<1.1.1>pentane-1,3-dicarboxylate (138732-31-7)

Guidance literature:

With pyridine; In diethyl ether; for 20h; Yield given; Ambient temperature;

upstream raw materials:

methyl 3-(chlorocarbonyl)bicyclo<1.1.1>pentane-1-carboxylate

tert-butyl alcohol

3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid

di-tert-butyl dicarbonate

Downstream raw materials:

t-butyl 3-(tosyloxymethyl)bicyclo<1.1.1>pentane-1-carboxylate

t-butyl 3-(bromomethyl)bicyclo<1.1.1>pentane-1-carboxylate