trans-ACPD

Base Information

Chemical Name:trans-ACPD
CAS No.:67684-64-4
Deprecated CAS:56827-69-1,39026-63-6,39026-64-7,207729-09-7
Molecular Formula:C₇H₁₁NO₄
Molecular Weight:173.169
Hs Code.:
DSSTox Substance ID:DTXSID201017343
Nikkaji Number:J257.595G
ChEMBL ID:CHEMBL36988
Mol file:67684-64-4.mol

Synonyms:(trans)-1-aminocyclopentyl-1,3-dicarboxylate;1-amino-1,3-dicarboxycyclopentane;1-amino-1,3-dicarboxycyclopentane, (cis)-(+-)-isomer;1-amino-1,3-dicarboxycyclopentane, (trans)-(+-)-isomer;1-amino-1,3-dicarboxycyclopentane, (trans)-isomer;1-amino-1,3-dicarboxycyclopentane, cis-(1R,3R)-isomer;1-amino-1,3-dicarboxycyclopentane, cis-(1S,3S)-isomer;1-amino-1,3-dicarboxycyclopentane, trans-(1R,3S)-isomer;1-amino-cyclopentyl-trans-1S,3R-dicarboxylate;1-aminocyclopentane-1,3-dicarboxylic acid;1-aminocyclopentyl-1,3-dicarboxylic acid;1R,3S-ACPD;1S,3R-ACPD;ACPD-1S,3R;cis-1-amino-1,3-cyclopentanecarboxylic acid;cis-ACPD;t-ACPD;trans-1-aminocyclopentane-1,3-dicarboxylate;trans-ACPD

Suppliers and Price of trans-ACPD

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

TRC
trans-ACPD
5mg
$ 340.00

Tocris
trans-ACPD ≥99%(HPLC)
10
$ 212.00

Tocris
trans-ACPD ≥99%(HPLC)
50
$ 891.00

Sigma-Aldrich
trans-(±)-ACPD monohydrate solid, ≥97% (NMR)
100mg
$ 1560.00

Sigma-Aldrich
trans-(±)-ACPD monohydrate solid, ≥97% (NMR)
5mg
$ 136.00

Sigma-Aldrich
trans-(±)-ACPD monohydrate solid, ≥97% (NMR)
25mg
$ 538.00

DC Chemicals
Trans-ACPD >98%
25 mg
$ 240.00

Crysdot
Cis-1-aminocyclopentane-1,3-dicarboxylicacid 97%
50mg
$ 385.00

Crysdot
Cis-1-aminocyclopentane-1,3-dicarboxylicacid 97%
100mg
$ 693.00

Crysdot
Cis-1-aminocyclopentane-1,3-dicarboxylicacid 97%
10mg
$ 105.00

Total 17 raw suppliers

Chemical Property of trans-ACPD

Chemical Property:

Vapor Pressure:6.39E-06mmHg at 25°C
Refractive Index:1.563
Boiling Point:352.7°C at 760 mmHg
PKA:2.11±0.40(Predicted)
Flash Point:167.1°C
PSA：100.62000
Density:1.452g/cm³
LogP:0.35350
Storage Temp.:Store at RT
Solubility.:H2O: soluble1mg/mL
XLogP3:-3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:173.06880783
Heavy Atom Count:12
Complexity:227

Purity/Quality:

97% ^*data from raw suppliers

trans-ACPD ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CC1C(=O)O)(C(=O)O)N
Isomeric SMILES:C1C[C@@](C[C@H]1C(=O)O)(C(=O)O)N
Uses rans-ACPD is a mGluR2 agonist.

Technology Process of trans-ACPD

There total 12 articles about trans-ACPD 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: 66.0%

: (1S,3S)-1-tert-Butoxycarbonylamino-3-cyano-cyclopentanecarboxylic acid ethyl ester

: 39026-63-6,39026-64-7,56827-69-1,67684-64-4,89253-38-3,100910-67-6,111900-31-3,111900-32-4,111900-33-5,477331-06-9
trans-(+/-)-1-amino-1,3-cyclopentanedicarboxylic acid

Guidance literature:: With hydrogenchloride; ammonium hydroxide; Dowex 50WX₈-100; 1.) reflux, 4 h;
DOI:10.1016/S0040-4039(98)00490-0

Reference yield:

: 112896-82-9,112965-97-6,112965-98-7,112965-99-8,122743-40-2,122743-41-3
(5R,7S)-2,4-Dioxo-1,3-diaza-spiro[4.4]nonane-7-carboxylic acid

: 39026-63-6,39026-64-7,56827-69-1,67684-64-4,89253-38-3,100910-67-6,111900-31-3,111900-32-4,111900-33-5,477331-06-9
trans-1-aminocyclopentane-1,3-dicarboxylic acid

Guidance literature:: With barium(II) oxide; at 140 ℃;
DOI:10.1016/S0040-4039(00)82278-9

Reference yield:

: (1S,3S)-3-Acetoxy-1-tert-butoxycarbonylamino-cyclopentanecarboxylic acid ethyl ester

: 39026-63-6,39026-64-7,56827-69-1,67684-64-4,89253-38-3,100910-67-6,111900-31-3,111900-32-4,111900-33-5,477331-06-9
trans-1-aminocyclopentane-1,3-dicarboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 66 percent / K₂CO₃ / ethanol

2: Et₃N / CH₂Cl₂ / 17 h / 0 deg C up to RT

3: dimethylformamide / 17 h / 80 °C

4: 1.) 6M HCl; 2.) Dowex 50WX₈-100, 2M aq. NH₃ / 1.) reflux, 4 h

With hydrogenchloride; ammonium hydroxide; Dowex 50WX₈-100; potassium carbonate; triethylamine; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(98)00490-0