4-Boc-2-(hydroxymethyl)homomorpholine

Base Information

• Chemical Name: 4-Boc-2-(hydroxymethyl)homomorpholine
• CAS No.: 1174020-52-0
• Molecular Formula: C₁₁H₂₁NO₄
• Molecular Weight: 231.292
• Mol file: 1174020-52-0.mol

Synonyms:tert-butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

Chemical Property of 4-Boc-2-(hydroxymethyl)homomorpholine

Chemical Property:

• Boiling Point: 337.8±27.0 °C(Predicted)
• PKA: 14.36±0.10(Predicted)
• Density: 1.090±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Boc-2-(hydroxymethyl)homomorpholine

There total 3 articles about 4-Boc-2-(hydroxymethyl)homomorpholine 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: 90.0%

di-tert-butyl dicarbonate (24424-99-5) + (1,4-oxazepan-2-yl)methanol (1207254-23-6) → tert-butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate (1174020-52-0)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20 ℃; for 16h;

Reference yield:

(4-benzyl-1,4-oxazepan-2-yl)methanol (1031442-66-6) → tert-butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate (1174020-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 760.05 Torr

2: sodium hydrogencarbonate / water; tetrahydrofuran / 20 °C

With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate; In tetrahydrofuran; methanol; water;

DOI:10.1021/acs.jmedchem.6b01245

Reference yield:

4-benzyl-2-chloromethyl-[1,4]oxazepane (129482-45-7) → tert-butyl 2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate (1174020-52-0)

Guidance literature:

Multi-step reaction with 3 steps

1: formamide / water / 190 °C

2: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 760.05 Torr

3: sodium hydrogencarbonate / water; tetrahydrofuran / 20 °C

With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate; formamide; In tetrahydrofuran; methanol; water;

DOI:10.1021/acs.jmedchem.6b01245

upstream raw materials:

di-tert-butyl dicarbonate

(1,4-oxazepan-2-yl)methanol

(4-benzyl-1,4-oxazepan-2-yl)methanol

4-benzyl-2-chloromethyl-[1,4]oxazepane

Downstream raw materials:

2-(4-Chloro-5-methoxy-2-methoxycarbonyl-phenoxymethyl)-[1,4]oxazepane-4-carboxylic acid tert-butyl ester

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