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

Base Information

• Chemical Name: N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine
• CAS No.: 90152-88-8
• Molecular Formula: C8H14 N2 O2
• Molecular Weight: 170.21
• DSSTox Substance ID: DTXSID801009184
• ChEMBL ID: CHEMBL1544529
• Mol file: 90152-88-8.mol

Synonyms:90152-88-8;N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine;(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid;2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid;2-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]acetic acid;Glycine, N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-;2-((3,4,5,6-Tetrahydro-2H-azepin-7-yl)amino)acetic acid;SMR000060813;MLS000054468;CHEMBL1544529;DTXSID801009184;HMS1721L02;HMS2497C11;BBL029457;MFCD01724593;STK687016;AKOS002684189;AKOS008031067;AKOS030686414;LS-72877;VS-09244;CS-0243837;EU-0047777;FT-0684108;EN300-26904;2-((3,4,5,6-Tetrahydro-2H-azepin-7-yl)amino)aceticacid;(3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YLAMINO)ACETICACID

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

Chemical Property:

• Vapor Pressure: 1.78E-07mmHg at 25°C
• Boiling Point: 398.8°C at 760 mmHg
• Flash Point: 195°C
• PSA: 61.69000
• Density: 1.24g/cm³
• LogP: 0.45960
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.105527694
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

2-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=NCC1)NCC(=O)O

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

There total 4 articles about N-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)glycine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

O-methylcaprolactim (2525-16-8) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-<3'H-4',5',6',7'-tetrahydroazepin-2'-yl>-5H-3-oxo-2,3,6,7,8,9-hexahydroimidazo<1,2-a>azepine (132509-60-5) + N-<3'H-4',5',6',7'-tetrahydroazepin-2'-yl>aminoacetic acid (90152-88-8) + 5H-3-oxo-2,3,6,7,8,9-hexahydroimidazo-<1,2-a>azepine (132509-59-2)

Guidance literature:

In dimethyl sulfoxide; at 110 ℃; for 0.5h;

Reference yield:

O-methylcaprolactim (2525-16-8) + glycine (56-40-6,18875-39-3,25718-94-9) → N-hexahydroazepin-2-ylidene-glycine (90152-88-8)

Guidance literature:

With methanol;

Reference yield:

→ N-<3'H-4',5',6',7'-tetrahydroazepin-2'-yl>aminoacetic acid (90152-88-8)

Guidance literature:

entspr. O-Alkyllactim, entspr. Aminosaeure;

upstream raw materials:

O-methylcaprolactim

glycine

Refernces