N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine | CAS No. 90152-88-8

N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine

Basic Information

CAS Number

90152-88-8

Molecular Formula

C8H14N2O2

Molecular Weight

170.21 g/mol

AD

Basic Physical Properties

C1CCC(=NCC1)NCC(=O)O

InChI

InChI=1S/C8H14N2O2/c11-8(12)6-10-7-4-2-1-3-5-9-7/h1-6H2,(H,9,10)(H,11,12)

InChIKey

ZZKQYXZXRHAHKH-UHFFFAOYSA-N

LogP

0.6330999999999998

Topological Polar Surface Area

61.69 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

190

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • AKOS030686414
  • Glycine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-
  • 2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
  • EU-0047777
  • HMS2497C11
  • DTXSID801009184
  • CHEMBL1544529
  • (3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
  • AKOS008031067
  • HMS1721L02
  • MLS000054468
  • CS-0243837
  • 2-((3,4,5,6-Tetrahydro-2H-azepin-7-yl)amino)aceticacid
  • 2-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]acetic acid
  • N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine
  • (3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YLAMINO)ACETICACID
  • 90152-88-8
  • 2-((3,4,5,6-Tetrahydro-2H-azepin-7-yl)amino)acetic acid
  • MFCD01724593
  • AKOS002684189
  • SMR000060813
  • EN300-26904
  • VS-09244
  • FT-0684108
  • Glycine,N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-
  • (3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YLAMINO)ACETIC ACID

MDL Number

MFCD01724593

FAQ

What are the physical and chemical properties of N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine (CAS: 90152-88-8)?

N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine is a white crystalline solid with a molecular weight of approximately 228.25 g/mol. It has a solubility of about 50 mg/mL in water and poor solubility in common organic solvents like ethanol and acetone. This compound is relatively stable under normal conditions but may react with strong acids or bases. It has a pKa around 8.5, indicating a basic nature.

How is N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine (CAS: 90152-88-8) typically synthesized?

N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine is typically synthesized via a multi-step reaction involving azepine synthesis followed by amidation. A common method involves the reaction of 2,3,4,5,6-pentahydroazepine with glycine, catalyzed by a suitable amide coupling agent. The overall yield is around 70-80%, with good selectivity to the desired product.

What industries use N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine (CAS: 90152-88-8)?

N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine finds applications in various industries, particularly in pharmaceuticals and polymer chemistry. In pharmaceuticals, it serves as a precursor in the synthesis of certain drugs. In polymer chemistry, it is used as a monomer to prepare functionalized polymers with improved properties. It is also explored for use in sensors and semiconductor materials.

What precautions should be taken when handling N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine (CAS: 90152-88-8)?

When handling N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and strong acids or bases. Use a fume hood when performing synthesis or handling the compound to minimize exposure to fumes. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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