tert-butyl 3-hydroxyazepane-1-carboxylate

Base Information

• Chemical Name: tert-butyl 3-hydroxyazepane-1-carboxylate
• CAS No.: 478841-10-0
• Molecular Formula: C11H21NO3
• Molecular Weight: 215.28900
• Hs Code.: 2933990090
• Mol file: 478841-10-0.mol

Synonyms:1-Boc-3-hydroxy-azepane;

Chemical Property of tert-butyl 3-hydroxyazepane-1-carboxylate

Chemical Property:

• Boiling Point: 310.6±35.0 °C(Predicted)
• PKA: 14.74±0.20(Predicted)
• PSA: 49.77000
• Density: 1.079±0.06 g/cm3(Predicted)
• LogP: 1.70620
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

NLT 98% ^*data from raw suppliers

tert-butyl3-hydroxyazepane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 3-hydroxyazepane-1-carboxylate

There total 10 articles about tert-butyl 3-hydroxyazepane-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: 100.0%

1,1-dimethylethyl (2-hydroxy-4-penten-1-yl)(2-propen-1-yl)carbamate (1279126-05-4) → 1,1-dimethylethyl 3-hydroxy-hexahydro-1H-azepine-1-carboxylate (478841-10-0)

Guidance literature:

1,1-dimethylethyl (2-hydroxy-4-penten-1-yl)(2-propen-1-yl)carbamate; With Grubbs catalyst first generation; In dichloromethane; Reflux; Inert atmosphere;

With platinum(IV) oxide; hydrogen; In ethanol; at 20 ℃; under 760.051 Torr;

DOI:10.1021/jm1013874

Reference yield: 99.0%

1,1-dimethylethyl 3-hydroxy-2,3,4,7-tetrahydro-1H-azepine-1-carboxylate (1279126-07-6) → 1,1-dimethylethyl 3-hydroxy-hexahydro-1H-azepine-1-carboxylate (478841-10-0)

Guidance literature:

1,1-dimethylethyl 3-hydroxy-2,3,4,7-tetrahydro-1H-azepine-1-carboxylate; In methanol; Inert atmosphere;

With palladium on activated charcoal; Inert atmosphere;

With hydrogen; for 3h;

Reference yield: 87.0%

3-oxoazepane-1-carboxylic acid tert-butyl ester (870842-23-2) → 1,1-dimethylethyl 3-hydroxy-hexahydro-1H-azepine-1-carboxylate (478841-10-0)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃;

upstream raw materials:

1-benzylazepan-3-ol

tert-butyldicarbonate

1-(2-propen-1-ylamino)-4-penten-2-ol

1,1-dimethylethyl (2-hydroxy-4-penten-1-yl)(2-propen-1-yl)carbamate

Downstream raw materials:

4-[(4-chlorophenyl)methyl]-2-(1-methyl-hexahydro-1H-azepin-3-yl)-1(2H)-phthalazinone

4-[(4-chlorophenyl)methyl]-2-(hexahydro-1H-azepin-3-yl)-1(2H)-phthalazinone

Refernces

• 1、 -. "BTK INHIBITOR". Paragraph 1046-1047. . Retrieved 2017/11/16.
• 2、 -. "PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS". . . Retrieved 2016/04/20.