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1-Boc-azepane-2-carboxylic acid, also known as tert-butyl 2-azepanecarboxylate, is a chemical compound with the molecular formula C12H21NO3. It is a derivative of azepane and contains a tert-butoxycarbonyl (Boc) protecting group attached to the nitrogen atom. This white crystalline solid is relatively stable and serves as a versatile building block in organic synthesis and medicinal chemistry, with applications in the preparation of various pharmaceuticals and bioactive compounds.

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  • 1034708-26-3 Structure
  • Basic information

    1. Product Name: 1-Boc-azepane-2-carboxylic acid
    2. Synonyms: 1-Boc-azepane-2-carboxylic acid
    3. CAS NO:1034708-26-3
    4. Molecular Formula: C12H21NO4
    5. Molecular Weight: 243.29944
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1034708-26-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-Boc-azepane-2-carboxylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-Boc-azepane-2-carboxylic acid(1034708-26-3)
    11. EPA Substance Registry System: 1-Boc-azepane-2-carboxylic acid(1034708-26-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1034708-26-3(Hazardous Substances Data)

1034708-26-3 Usage

Uses

Used in Organic Synthesis:
1-Boc-azepane-2-carboxylic acid is used as a building block for the synthesis of complex organic molecules, providing a protected nitrogen atom that can be selectively deprotected when needed. Its Boc group allows for the controlled introduction of nitrogen-containing functional groups in organic reactions.
Used in Medicinal Chemistry:
In the pharmaceutical industry, 1-Boc-azepane-2-carboxylic acid is used as a key intermediate in the development of new drugs. Its unique structure and the Boc protecting group enable the synthesis of bioactive compounds with potential therapeutic applications.
Used in Chemical Research:
1-Boc-azepane-2-carboxylic acid is utilized in chemical research to explore novel reaction pathways and mechanisms involving nitrogen-containing compounds. Its stability and reactivity make it a valuable tool for studying the properties and behavior of azepane derivatives and related structures.
Overall, 1-Boc-azepane-2-carboxylic acid is a versatile and valuable compound in the fields of organic synthesis, medicinal chemistry, and chemical research, offering a wide range of applications due to its unique structure and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1034708-26-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,3,4,7,0 and 8 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1034708-26:
(9*1)+(8*0)+(7*3)+(6*4)+(5*7)+(4*0)+(3*8)+(2*2)+(1*6)=123
123 % 10 = 3
So 1034708-26-3 is a valid CAS Registry Number.

1034708-26-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-Boc-azepane-2-carboxylic acid

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:1034708-26-3 SDS

1034708-26-3Downstream Products

1034708-26-3Relevant articles and documents

Novel multi-target azinesulfonamides of cyclic amine derivatives as potential antipsychotics with pro-social and pro-cognitive effects

Zajdel, Pawe?,Kos, Tomasz,Marciniec, Krzysztof,Sata?a, Grzegorz,Canale, Vittorio,Kamiński, Krzysztof,Ho?uj, Ma?gorzata,Lenda, Tomasz,Koralewski, Robert,Bednarski, Marek,Nowiński, Leszek,Wójcikowski, Jacek,Daniel, W?adys?awa A.,Nikiforuk, Agnieszka,Nalepa, Irena,Chmielarz, Piotr,Ku?mierczyk, Justyna,Bojarski, Andrzej J.,Popik, Piotr

, p. 790 - 804 (2018)

Currently used antipsychotics are characterized by multireceptor mode of action. While antagonism of dopamine D2 receptors is responsible for the alleviation of “positive” symptoms of schizophrenia and the effects at other, particularly serotonergic receptors are necessary for their additional therapeutic effects, there is no consensus regarding an “ideal” target engagement. Here, a detailed SAR analysis in a series of 45 novel azinesulfonamides of cyclic amine derivatives, involving the aryl-piperazine/piperidine pharmacophore, central alicyclic amine and azinesulfonamide groups has led to the selection of (S)-4-((2-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)isoquinoline (62). The polypharmacology profile of 62, characterized by partial 5-HT1AR agonism, 5-HT2A/5-HT7/D2/D3R antagonism, and blockade of SERT, reduced the “positive”-like, and “negative”-like symptoms of psychoses. Compound 62 produced no catalepsy, demonstrated a low hyperprolactinemia liability and displayed pro-cognitive effects in the novel object recognition task and attentional set-shifting test. While association of in vitro features with the promising in vivo profile of 62 is still not fully established, its clinical efficacy should be verified in further stages of development.

Polybasic nitrogen heterocyclic non-natural chiral amino acid and synthesis method thereof

-

, (2018/11/22)

The invention relates to a polybasic nitrogen heterocyclic non-natural chiral amino acid and a synthesis method thereof. The amino acid can be applied to molecule building for antibiotic synthesis. According to the synthesis method, 2-aminodiethyl malonate and halogenated alkanes carry out substitution reactions, cyclization reactions, and decarboxylation reactions, and the reaction products are split to obtain the polybasic nitrogen heterocyclic non-natural chiral amino acid. The provided novel synthesis method has the advantages of simple synthesis route, low cost, convenient operation, andeasiness for commercial production, the chiral purity of obtained products is high, and the application prospect is good.

ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS

-

Paragraph 0944, (2017/03/14)

Compounds, methods of use, and processes for making inhibitors of complement Factor D are provided comprising Formula I, I" and I'" or a pharmaceutically acceptable salt or composition thereof. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduces the excessive activation of complement.

NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS

-

Page/Page column 24, (2017/01/23)

Compounds of Formula (I), their preparation, and use in preventing or treating a bacterial infection are disclosed.

HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR

-

Page/Page column 154-155, (2010/09/17)

Compounds which modulate the CB2 receptor are disclosed. Compounds according to the invention bind to and are agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

Asymmetrie substitutions of 2-lithiated N-boc-piperidine and N-boc-azepine by dynamic resolution

Coldham, Iain,Raimbault, Sophie,Whittaker, David T. E.,Chovatia, Praful T.,Leonori, Daniele,Patel, Jignesh J.,Sheikh, Nadeem S.

experimental part, p. 4082 - 4090 (2010/07/10)

Proton abstraction of N-tertbutoxycarbonyl-piperidine (N-Boc-piperidine) with sBuLi and TMEDA provides a racemic organolithium that can be resolved using a chiral ligand. The enantiomeric organolithiums can interconvert so that a dynamic resolution occurs. Two mechanisms for promoting enantioselectivity in the products are possible. Slow addition of an electrophile such as trimethylsilyl chloride allows dynamic resolution under kinetic control (DKR). This process occurs with high enantioselectivity and is successful by catalysis with substoichiometric chiral ligand (catalytic dynamic kinetic resolution). Alternatively, the two enantiomers of this organolithium can be resolved under thermodynamic control with good enantioselectivity (dynamic thermodynamic resolution, DTR). The best ligands found are based on chiral diamino-alkoxides. Using DTR, a variety of electrophiles can be used to provide an asymmetric synthesis of enantiomerically enriched 2-substituted piperidines, including (after Boc deprotection) the alkaloid (+)-ss-conhydrine. The chemistry was extended, albeit with lower yields, to the corresponding 2-substituted sevenmembered azepine ring derivatives.

Restricted conformation analogues of an anthelmintic cyclodepsipeptide

Dutton, Fred E.,Lee, Byung H.,Johnson, Sandra S.,Coscarelli, Eileen M.,Lee, Pil H.

, p. 2057 - 2073 (2007/10/03)

Six analogues of the anthelmintic cyclodepsipeptide PF1022A were prepared, each containing a small ring fused to the macrocycle to restrict the number of conformations the larger ring can adopt. It was anticipated that such conformational changes could lead to enhanced biological activity and selectivity. The analogues form two series of three members each. In one series, a carbon-based molecular bridge joins the methyl of a leucine residue with the methyl of its closest lactic acid residue to form five-, six-, and seven-membered lactam rings. In the second series, a leucine residue is replaced with five-, six-, and seven-membered nitrogen heterocycles. Decreasing the size of the small ring in the lactam series increasingly distorts the macrocycle and consistently decreases activity relative to PF1022A. In the leucine series, a similar trend is observed. Molecular modeling of PF1022A along with the analogues described herein suggests that the ability to exist in a highly symmetrical conformational state is a necessary condition for biological activity.

A Versatile Method for the Synthesis of (S)- or (R)-Cycloalkylglycines, (S)- or (R)-N-Heterocyclic and α,β-Unsaturated N-Heterocyclic α-Amino Acids

Pauly, Regine,Sasaki, N. Andre,Potier, Pierre

, p. 237 - 240 (2007/10/02)

Two different types of cyclic α-amino acids, cycloalkylglycines and N-heterocyclic α-amino acids, were prepared in optically pure form from the same chiral synthon 1-(R) (or 1-(S)) simply by altering the quantity or type of base required for anion formation.Elaboration of the heterocyclic intermediate 3 provided α,β-unsaturated N-heterocyclic α-amino acids.

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