tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate

Base Information

• Chemical Name: tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
• CAS No.: 181646-38-8
• Molecular Formula: C10H19NO3
• Molecular Weight: 201.266
• European Community (EC) Number: 835-641-2
• Mol file: 181646-38-8.mol

Synonyms:181646-38-8;tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate;Carbamic acid, (1,1-dimethyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI);3-(tert-butoxycarbonylamino)-3-methylbutanal;SCHEMBL74865;VNOWIHHJPAJYHL-UHFFFAOYSA-N;MFCD24465551;EN300-207036;F78537;tert-butyl(1,1-dimethyl-3-oxopropyl)carbamate;tert-Butyl(2-methyl-4-oxobutan-2-yl)carbamate;tert-butyl (1,1-dimethyl-3-oxopropyl)carbamate;tert-Butyl (2-methyl-4-oxobutan-2-yl)carbamate;tert-butyl(1,1-dimethyl-3-oxo-propyl)-carbamate;tert-butyl (1,1-dimethyl-3-oxo-propyl)-carbamate;tert-butylN-(2-methyl-4-oxobutan-2-yl)carbamate;(1,1-Dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester

Chemical Property of tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate

Chemical Property:

• PSA: 55.40000
• LogP: 2.26960
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 201.13649347
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl2-Methyl-4-oxobutan-2-ylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C)(C)CC=O
• Uses: tert-Butyl 2-Methyl-4-oxobutan-2-ylcarbamate is an intermediate used in the synthesis of (2E)-5-(tert-Butyloxycarbonylamino)-5-methylhex-2-enoic Acid (B809765), which is used in the preparation of C-terminal sulfonamide analogs of NN703 as growth hormone secretagogues.

Technology Process of tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate

There total 13 articles about tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate 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: 95.0%

tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate (167216-22-0) → (1,1-dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester (181646-38-8)

Guidance literature:

With sulfur trioxide pyridine complex; triethylamine; In dimethyl sulfoxide;

DOI:10.1002/jlcr.456

Reference yield:

oxalyl dichloride (79-37-8) + tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate (167216-22-0) → (1,1-dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester (181646-38-8)

Guidance literature:

With triethylamine; In n-heptane; dichloromethane; dimethyl sulfoxide;

Reference yield:

methyl 3-<<(tert-butoxy)carbonyl>amino>-3-methylbutanoate (145486-69-7) → (1,1-dimethyl-3-oxo-propyl)-carbamic acid tert-butyl ester (181646-38-8)

Guidance literature:

methyl 3-<<(tert-butoxy)carbonyl>amino>-3-methylbutanoate; With diisobutylaluminium hydride; In dichloromethane; toluene; at -78 ℃; for 2h;

With methanol; In dichloromethane; toluene;

With water; Rochelle's salt; In dichloromethane; toluene; at 0 - 20 ℃; for 0.5h;

upstream raw materials:

tert-butyl (3-hydroxy-1,1-dimethyl-propyl)-carbamate

1-hydroxy-3-methylbut-3-ylamine

di-tert-butyl dicarbonate

2,4,4-trimethyl-5,6-dihydro-1,3(4H)-oxazine

Downstream raw materials:

tert-butyl {3-[2-(1-ethyl-1-hydroxy-propyl)-phenylamino]-1,1-dimethyl-propyl}-carbamate

2-benzyl-5-tert-butoxycarbonylamino-5-methyl-hex-2-enoic acid

[1,1-dimethyl-4-(methyl-{1-[methyl-(1-methylcarbamoyl-2-phenyl-ethyl)-carbamoyl]-2-naphthalen-2-yl-ethyl}-carbamoyl)-5-phenyl-pent-3-enyl]-carbamic acid tert-butyl ester

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