(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid

Base Information

Chemical Name:(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid
CAS No.:142855-79-6
Molecular Formula:C₂₃H₂₄N₂O₅
Molecular Weight:408.454
Hs Code.:29225090
DSSTox Substance ID:DTXSID30373294
Nikkaji Number:J1.861.253D
Wikidata:Q72478464
Mol file:142855-79-6.mol

Synonyms:142855-79-6;(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid;(3S)-Fmoc-3-amino-1-carboxymethyl-caprolactame;Fmoc-[3S]-3-amino-1-carboxymethylcaprolactame;Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame;2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxoazepan-1-yl]acetic acid;C23H24N2O5;SCHEMBL7521971;DTXSID30373294;MFCD00270208;AKOS024462553;CS-0446035;A885091;(3S)-Fmoc-3-amino-1-carboxymethyl-caprolactame, AldrichCPR;(3S)-2-Oxo-3beta-(9H-fluorene-9-ylmethoxycarbonylamino)hexahydro-1H-azepine-1-acetic acid;(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)aceticacid

Suppliers and Price of (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Fmoc-[3S]-3-amino-1-carboxymethylcaprolactame98+%
100mg
$ 240.00

TRC
Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame
1g
$ 250.00

TRC
Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame
5g
$ 870.00

Medical Isotopes, Inc.
Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame
5 g
$ 800.00

Medical Isotopes, Inc.
Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame
1 g
$ 465.00

Crysdot
(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)aceticacid 95+%
1g
$ 177.00

Crysdot
(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)aceticacid 95+%
5g
$ 730.00

Chemenu
(S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)aceticacid 95%
5g
$ 683.00

American Custom Chemicals Corporation
(3S)-FMOC-3-AMINO-1-CARBOXYMETHYL-CAPROLACTAME 95.00%
1G
$ 560.00

American Custom Chemicals Corporation
(3S)-FMOC-3-AMINO-1-CARBOXYMETHYL-CAPROLACTAME 95.00%
5MG
$ 496.03

Total 18 raw suppliers

Chemical Property of (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid

Chemical Property:

Boiling Point:692.0±55.0 °C(Predicted)
PKA:3.73±0.10(Predicted)
PSA：99.43000
Density:1.35±0.1 g/cm3(Predicted)
LogP:3.13310
Storage Temp.:Store at 0-5°C
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:408.16852187
Heavy Atom Count:30
Complexity:632

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-[3S]-3-amino-1-carboxymethylcaprolactame98+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C(=O)C(C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
Isomeric SMILES:C1CCN(C(=O)[C@H](C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
Uses Fmoc-(3S)-3-amino-1-carboxymethylcaprolactame is used in the synthesis of unsubstituted piperazinone-based transition state factor Xa inhibitors. It is also used to prepare peptidomimetics containing Freidinger lactams as STAT3 inhibitors.

Technology Process of (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid

There total 2 articles about (S)-2-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxoazepan-1-yl)acetic acid 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:

: tert-butyl (3S)-3-(9-fluorenylmethoxycarbonylamino)-2-oxoperhydroazepine-1-acetate

: 142855-79-6
(3S)-3-(9-fluorenylmethoxycarbonylamino)-2-oxoperhydroazepine-1-acetic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; ethyl acetate;

Reference yield:

: 142855-79-6
(3S)-3-(9-fluorenylmethoxycarbonylamino)-2-oxoperhydroazepine-1-acetic acid

Guidance literature:

Reference yield: 70.0%

: 1147514-16-6
C₃₁H₃₁N₃O₂

: 142855-79-6
(3S)-3-(9-fluorenylmethoxycarbonylamino)-2-oxoperhydroazepine-1-acetic acid

: 1147514-20-2
C₅₄H₅₃N₅O₆

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine;
DOI:10.1016/j.bmcl.2009.01.091