631914-55-1

Basic information

• Product Name: Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
• Synonyms: Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
• CAS NO: 631914-55-1
• Molecular Formula: C₈H₁₄ClNO₃
• Molecular Weight: 207.65466
• Product Categories: N-BOC
• Mol File: 631914-55-1.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 271.3±23.0 °C(Predicted)
• Appearance: /
• Density: 1.142±0.06 g/cm3(Predicted)
• PKA: 10.98±0.46(Predicted)
• CAS DataBase Reference: Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester(631914-55-1)
• EPA Substance Registry System: Carbamic acid, [(1S)-2-chloro-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester(631914-55-1)

Safety Data

• Hazardous Substances Data: 631914-55-1(Hazardous Substances Data)

Upstream product

• 15761-38-3 L-N-Boc-Ala 
• 5767-35-1 6-chloro-4-hydrazinopyrimidine 
• 950916-77-5 1,1-dichloro-2,3-dimesitylcyclopropene 

Downstream Products

• 2280-66-2 N-tert-butyloxycarbonylalanylphenylalanine methyl ester 
• 106539-14-4 (S)-methyl 3-(tert-butyloxycarbonylamino)butyrate 
• 67919-80-6 (S)-3-[(tert-butoxy)carbonylamino]-1-diazobutan-2-one 
• 156706-51-3 (S)-tert-butyl (1-(hydroxyamino)-1-oxopropan-2-yl)carbamate 
• 1443008-04-5 tert-butyl ((S)-1-(((1S,2S)-2-hydroxy-1,2-diphenylethyl)(methyl)amino)-1-oxopropan-2-yl)carbamate 
• 133039-96-0 (S)-(1-fluoro-1-oxoprop-2-yl)carbamic acid tert-butyl ester 
• 671203-91-1 benzyl(2S)-1-{(2S)-2-[(tert-butoxycarbonyl)-amino]-propionyl}-2,3,4,5,6,7-hexahydro-1H-indole-2-carboxylate 
• 105100-68-3 ((S)-1-{2-[2-(Thiazol-2-ylcarbamoyl)-acetyl]-6-trifluoromethyl-phenylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester 

Relevant articles and documents

Chiral recognition of mesoporous SBA-15 with an incorporated chiral porphyrin

The incorporation of a chiral porphyrin into the mesoporous molecular sieves SBA-15 by reactions of the surface OH group with an amino group of the porphyrin and its chiral recognition were studied. The resultant material was analyzed by a combination of

Modulation of the Passive Permeability of Semipeptidic Macrocycles: N- And C-Methylations Fine-Tune Conformation and Properties

Incorporating small modifications to peptidic macrocycles can have a major influence on their properties. For instance, N-methylation has been shown to impact permeability. A better understanding of the relationship between permeability and structure is of key importance as peptidic drugs are often associated with unfavorable pharmacokinetic profiles. Starting from a semipeptidic macrocycle backbone composed of a tripeptide tethered head-to-tail with an alkyl linker, we investigated two small changes: peptide-to-peptoid substitution and various methyl placements on the nonpeptidic linker. Implementing these changes in parallel, we created a collection of 36 compounds. Their permeability was then assessed in parallel artificial membrane permeability assay (PAMPA) and Caco-2 assays. Our results show a systematic improvement in permeability associated with one peptoid position in the cycle, while the influence of methyl substitution varies on a case-by-case basis. Using a combination of molecular dynamics simulations and NMR measurements, we offer hypotheses to explain such behavior.

Synthesis of quaternary α-methyl α-amino acids by asymmetric alkylation of pseudoephenamine alaninamide pivaldimine

The utility of pseudoephenamine as a chiral auxiliary for the alkylative construction of quaternary α-methyl α-amino acids is demonstrated. The method is notable for the high diastereoselectivities of the alkylation reactions, for its versatility with respect to electrophilic substrate partners, and for its mild hydrolysis conditions, which provide α-amino acids without salt contaminants. Alternatively, α-amino esters can be obtained by direct alcoholysis.