1-Boc-3-methoxyazetidine - ≥95% , CAS No.429669-07-8

CAS: 429669-07-8 Cat. No.: B133708 Formula: C₉H₁₇NO₃ Peso molecolare: 187.24 Numero EC: 971-976-1

GRADE & PURITY ≥95%

Synonyms

AC-26592 | DS-16859 | AKOS006290004 | 1-AZETIDINECARBOXYLIC ACID, 3-METHOXY-, 1,1-DIMETHYLETHYL ESTER | 1-t-butoxycarbonyl-3-methoxyazetidine | 1-Boc-3-methoxyazetidine | 1-Boc-3-(methoxy)azetidine | AM808158 | MFCD08689580 | SCHEMBL933025 | PB14605 | EN3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AC-26592 | DS-16859 | AKOS006290004 | 1-AZETIDINECARBOXYLIC ACID, 3-METHOXY-, 1,1-DIMETHYLETHYL ESTER | 1-t-butoxycarbonyl-3-methoxyazetidine | 1-Boc-3-methoxyazetidine | 1-Boc-3-(methoxy)azetidine | AM808158 | MFCD08689580 | SCHEMBL933025 | PB14605 | EN3

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488200084

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200084

Sorrisi canonici

CC(C)(C)OC(=O)N1CC(C1)OC

IUPAC Name

tert-butyl 3-methoxyazetidine-1-carboxylate

InChIKey

ZENIBVFXWKRVMK-UHFFFAOYSA-N

INCHI

1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3

Isomeri SMILES

CC(C)(C)OC(=O)N1CC(C1)OC

Peso molecolare

187.24

Reaxy-Rn

13495047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13495047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Carbamate esters Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azetidinecarboxylic acid - Carbamic acid ester - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 187.240 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 187.121 Da
• Monoisotopic Mass: 187.121 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1