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N-Boc-dehydroAla-OBn is a chemical compound that features an N-tert-butoxycarbonyl (N-Boc) protected dehydroalanine (dehydroAla) moiety, which is a non-proteinogenic amino acid derived from serine through the elimination of water. This moiety is linked to a benzyl ester (OBn) group, which is a common protecting group for carboxylic acids in organic synthesis. The N-Boc protective group shields the reactive groups of the dehydroalanine, facilitating controlled reactions and synthesis. N-Boc-dehydroAla-OBn is likely to have applications in peptide synthesis and organic chemistry as a building block for constructing more complex molecules.

94882-75-4

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94882-75-4 Usage

Uses

Used in Peptide Synthesis:
N-Boc-dehydroAla-OBn is used as a building block in peptide synthesis for the creation of complex peptide structures. The N-Boc protection allows for selective reactions to occur at the dehydroalanine moiety without affecting other functional groups, which is crucial for the synthesis of specific peptide sequences.
Used in Organic Chemistry:
In the field of organic chemistry, N-Boc-dehydroAla-OBn serves as a versatile intermediate for the synthesis of various organic compounds. The benzyl ester group can be selectively removed under mild conditions, enabling the formation of carboxylic acids or other functional groups that can be further elaborated upon in organic synthesis.
Used in Pharmaceutical Development:
N-Boc-dehydroAla-OBn may be utilized in the development of pharmaceuticals, particularly as a component of drug candidates. Its unique structure and reactivity can be harnessed to create novel therapeutic agents with specific biological activities.
Used in Chemical Research:
In chemical research, N-Boc-dehydroAla-OBn can be employed as a model compound to study reaction mechanisms, explore new synthetic methodologies, and understand the properties of protected amino acids in various chemical environments.

Check Digit Verification of cas no

The CAS Registry Mumber 94882-75-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,8,8 and 2 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 94882-75:
(7*9)+(6*4)+(5*8)+(4*8)+(3*2)+(2*7)+(1*5)=184
184 % 10 = 4
So 94882-75-4 is a valid CAS Registry Number.

94882-75-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

1.2 Other means of identification

Product number -
Other names 2-tert-butoxycarbonylaminoacrylic acid benzyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:94882-75-4 SDS

94882-75-4Relevant academic research and scientific papers

Straightforward synthesis of fluorinated amino acids by Michael addition of ethyl bromodifluoroacetate to α,β-unsaturated α-amino acid derivatives

Kondratov, Ivan S.,Bugera, Maxym Ya.,Tolmachova, Nataliya A.,Daniliuc, Constantin G.,Haufe, Günter

, p. 100 - 108 (2018/05/09)

Copper-mediated Michael addition of ethyl bromodifluoroacetate to N-protected α,β-unsaturated α-amino acid esters was applied for straightforward synthesis of γ,γ-difluorinated analogues of glutamic acid (compound 1) and glutamine (compound 10). Moreover, a proline-based, sterically constrained analog of γ,γ-difluoroglutamic acid (compound 24) was prepared.

Efficient asymmetric synthesis of N-protected-β-aryloxyamino acids via regioselective ring opening of serine sulfamidate carboxylic acid

Malhotra, Rajesh,Dey, Tushar K.,Dutta, Swarup,Basu, Sourav,Hajra, Saumen

, p. 6507 - 6515 (2014/08/18)

First regioselective ring opening of serine derived cyclic sulfamidate by hard nucleophiles like ArONa is developed, where β-elimination of serine sulfamidate ester by stronger nucleophiles is overcome by reversal of the electronic effect of the carboxyla

An improved procedure for the synthesis of dehydroamino acids and dehydropeptides from the carbonate derivatives of serine and threonine using tetrabutylammonium fluoride

Ramapanicker, Ramesh,Mishra, Roli,Chandrasekaran, Srinivasan

experimental part, p. 123 - 125 (2011/02/24)

Dehydroamino acids are important precursors for the synthesis of a number of unnatural amino acids and are structural components in many biologically active peptide derivatives. However, efficient synthetic procedures for their production in large amounts

An efficient synthesis of dehydroamino acids and dehydropeptides from O-Cbz and O-Eoc derivatives of serine and threonine

Ramesh, Ramapanicker,De, Kavita,Chandrasekaran, Srinivasan

, p. 10534 - 10542 (2008/02/13)

A simple and efficient method for the synthesis of dehydroamino acids from serine and threonine is reported. Various O-Cbz and O-Eoc derivatives of serine and threonine are prepared using CbzCl and EocCl, respectively, and are subjected to an anti-selective elimination on treatment with K2CO3 in DMF at 65 °C to afford dehydroalanine and dehydroamino butyric acid derivatives, respectively, in excellent yields. The high stability of these carbonate derivatives of serine and threonine allows their use in normal peptide synthesis as protected serine and threonine residues. Peptides synthesized by incorporating O-Cbz or O-Eoc derivatives undergo ready elimination under the reported conditions, to give the corresponding dehydropeptides in excellent yields. The reaction conditions are mild enough not to cause the racemization of other stereogenic centers present in the peptide.

ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS

-

Page/Page column 162, (2008/06/13)

The present invention provides compounds of Formula (I): Formula (I) or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L1, M and R11 are as defined herein. The compounds of Formula (I) are selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

Versatile and stereoselective syntheses of orthogonally protected β-methylcysteine and β-methyllanthionine

Narayan, Radha S.,VanNieuwenhze, Michael S.

, p. 2655 - 2658 (2007/10/03)

(Chemical Equation Presented) Lantibiotics are a class of lanthionine (and/or β-methyllanthionine)-containing peptides with antibioitic activity against Gram-positive bacteria. As part of our research effort directed toward the synthesis and mechanistic s

Design and synthesis of cyclic sialyl Lewis X mimetics: A remarkable enhancement of inhibition by pre-organizing all essential functional groups

Tsai,Huang,Wong

, p. 9499 - 9503 (2007/10/03)

Two rigid macrocyclic glycopeptides 1 and 2 were designed to mimic the tetrasaccharide SLe(X) as inhibitors of P-selectin. While compound 1 was found to be 1000-fold more potent than SLe(X) with IC50 = 1 μM, compound 2 was not soluble in water for evaluation of its activity. (C) 2000 Elsevier Science Ltd.

Solid-phase synthesis of dehydroalanine derivatives

Yamada, Masaki,Miyajima, Tadatoshi,Horikawa, Hiroshi

, p. 289 - 292 (2007/10/03)

A novel solid-phase synthetic method for dehydroalanines and dehydropeptides has been developed. Elimination of the sulfone part with concomitant release from the solid support afforded the desired dehydroalanine derivatives. The products were given in good yields and excellent purities.

Electrogenerated Superoxide-Activated Carbon Dioxide. A New Mild and Safe Approach to Organic Carbamates

Casadei, Maria Antonietta,Moracci, Franco Micheletti,Zappia, Giovanni,Inesi, Achille,Rossi, Leucio

, p. 6754 - 6759 (2007/10/03)

The electrochemical reduction of O2 (E = -1.0 V vs SCE) in dipolar aprotic solvents in the presence of CO2 gave a carboxylating reagent (O2·-/CO2) able to convert amines and different types of their derivatives into carbamates. Primary and secondary aliphatic and aromatic amines were converted into the corresponding ethyl carbamates by the addition of EtI to the carbamate anions generated in the first step of the reactions. The yields were dependent on the nucleophilicity of the nitrogen atom ω-Bromoethyl- and propylamine gave 2-oxazolidinone and tetrahydro-l,3-oxazm-2-one in moderate yields. N-Acyl or N-(alkoxycarbonyl)alkylamines bearing a leaving group at the β position of the alkyl substituent were converted into 3-substituted-2-oxazolidinones in high yields. By using chiral substrates, enantiopure 3-alkoxycarbonyl(or acyl)-4-substituted oxazolidin-2-ones (70-85% isolated yields) were obtained. This represents a new mild and safe route to these important auxiliaries for asymmetric synthesis. Some limitations of the process are also evidenced and accounted for.

Synthesis of all Three Regioisomers of Pyridylalanine

Walker, Michael A.,Kaplita, Khane Pham,Chen, Ti,King, H. Dalton

, p. 169 - 170 (2007/10/03)

Pyridylalanines 4-6, differing from one another by the position of attachment on the heterocyclic ring were synthesized in moderate yield starting from serine and 2-, 3- and 4-bromopyridine respectively.

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