1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine

Base Information

Chemical Name:1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine
CAS No.:115178-68-2
Molecular Formula:C₁₅H₁₉NO₃
Molecular Weight:261.321
Hs Code.:
DSSTox Substance ID:DTXSID50872178
Nikkaji Number:J1.560.599E

Synonyms:115178-68-2;Oprea1_008865;DTXSID50872178;HMS1725L14;2-(azepan-1-yl)-2-oxoethyl benzoate;AKOS017016467;1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine;Z19825619

Suppliers and Price of 1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:261.13649347
Heavy Atom Count:19
Complexity:303

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2

Technology Process of 1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine

There total 4 articles about 1-[(Benzoyloxy)acetyl]hexahydro-1H-azepine 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:

: 532-32-1
sodium benzoate

: 115178-68-2
Benzoic acid 2-azepan-1-yl-2-oxo-ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / NaI / H₂O / 6 h / 90 °C

2: 80 percent / aq. HCl / 0.17 h / 75 °C

3: 88 percent / SOCl₂ / 3 h / Heating

4: benzene / 1.5 h / Ambient temperature

With hydrogenchloride; thionyl chloride; sodium iodide; In water; benzene;
DOI:10.1002/jps.2600770402

Reference yield:

: 64649-43-0
(aminocarbonyl)methyl benzoate

: 115178-68-2
Benzoic acid 2-azepan-1-yl-2-oxo-ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / aq. HCl / 0.17 h / 75 °C

2: 88 percent / SOCl₂ / 3 h / Heating

3: benzene / 1.5 h / Ambient temperature

With hydrogenchloride; thionyl chloride; In benzene;
DOI:10.1002/jps.2600770402

Reference yield:

: 614-44-8
benzoyloxyacetic acid

: 115178-68-2
Benzoic acid 2-azepan-1-yl-2-oxo-ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / SOCl₂ / 3 h / Heating

2: benzene / 1.5 h / Ambient temperature

With thionyl chloride; In benzene;
DOI:10.1002/jps.2600770402