2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate

Base Information

Chemical Name:2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate
CAS No.:148868-55-7
Molecular Formula:C15H21 Cl N2 O3
Molecular Weight:312.796
Hs Code.:2933399090
DSSTox Substance ID:DTXSID30933493
Nikkaji Number:J691.129C
Wikidata:Q27086937
Pharos Ligand ID:NRVFDJ2CK63A
ChEMBL ID:CHEMBL286136
Mol file:148868-55-7.mol

Synonyms:2-piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate;ML 10302;ML-10302;ML10302

Suppliers and Price of 2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate

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
ML 10302 hydrochloride
10mg
$ 353.00

TRC
ML 10302
10mg
$ 95.00

Sigma-Aldrich
ML 10302 ≥98%, solid
50mg
$ 526.00

Sigma-Aldrich
ML 10302 ≥98%, solid
10mg
$ 142.00

American Custom Chemicals Corporation
ML 10302 95.00%
50MG
$ 915.63

American Custom Chemicals Corporation
ML 10302 95.00%
10MG
$ 629.42

Total 8 raw suppliers

Chemical Property of 2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate

Chemical Property:

Vapor Pressure:4.18E-09mmHg at 25°C
Boiling Point:472.7°C at 760 mmHg
Flash Point:239.7°C
PSA：64.79000
Density:1.223g/cm³
LogP:3.09260
Storage Temp.:2-8°C
Solubility.:DMSO: ~44 mg/mL
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:312.1240702
Heavy Atom Count:21
Complexity:337

Purity/Quality:

98%min ^*data from raw suppliers

ML 10302 hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:COC1=CC(=C(C=C1C(=O)OCCN2CCCCC2)Cl)N
Uses ML 10302 is a serotonin 5-HT4 receptor antagonist.

Technology Process of 2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate

There total 3 articles about 2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate 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: 54.0%

: 1932-03-2
2-(piperidin-4-yl)ethyl chloride

: 7206-70-4
4-amino-5-chloro-2-methoxybenzoic acid

: 148868-55-7
2-(1-piperidinyl)ethyl-4-amino-5-chloro-2-methoxybenzoate

Guidance literature:: With sodium; isopropyl alcohol; at 70 ℃; for 2h;
DOI:10.1002/ardp.19953280705

Reference yield:

: 7206-70-4
4-amino-5-chloro-2-methoxybenzoic acid

: 148868-55-7
2-(1-piperidinyl)ethyl-4-amino-5-chloro-2-methoxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / 1,8-diazabicyclo<5.4.0>undec-7-ene (DBU) / tetrahydrofuran / 3 h / Heating

2: K₂CO₃ / dimethylformamide / 18 h / Ambient temperature

With potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm960320m