(S)-Methyl 4-(1-aminoethyl)benzoate

Base Information

Chemical Name:(S)-Methyl 4-(1-aminoethyl)benzoate
CAS No.:222714-37-6
Molecular Formula:C10H13NO2
Molecular Weight:179.219
Hs Code.:2922499990
European Community (EC) Number:807-740-0
DSSTox Substance ID:DTXSID40590819
Wikidata:Q72436692
Mol file:222714-37-6.mol

Synonyms:(S)-Methyl 4-(1-aminoethyl)benzoate;222714-37-6;methyl 4-[(1S)-1-aminoethyl]benzoate;(S)-4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER;methyl (S)-4-(1-aminoethyl)benzoate;MFCD06762070;4-[(1S)-1-Aminoethyl]benzoic acid methyl ester;SCHEMBL881385;DTXSID40590819;XSYGLHLLQZGWPT-ZETCQYMHSA-N;CS-B0176;(S)-Methyl4-(1-aminoethyl)benzoate;BBL100464;STL554258;AKOS006237871;AKOS015852179;Methyl 4-((S)-1-aminoethyl)benzoate;FS-3553;Methyl-4-[(1S)-1-aminoethyl] benzoate;EN300-54984;4-[(1S)-1-Aminoethyl]-benzoic acid methyl ester;A878632;AU-004/43509236;4-[(1S)-1-aminoethyl]-benzoic acid, methyl ester;A1-01704

Suppliers and Price of (S)-Methyl 4-(1-aminoethyl)benzoate

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
Methyl4-?[(1S)?-?1-?Aminoethyl]?benzoate
250mg
$ 45.00

TRC
Methyl4-?[(1S)?-?1-?Aminoethyl]?benzoate
1g
$ 125.00

SynQuest Laboratories
Methyl 4-[(1S)-1-aminoethyl]benzoate 98%
5 g
$ 330.00

SynQuest Laboratories
Methyl 4-[(1S)-1-aminoethyl]benzoate 98%
1 g
$ 101.00

Oakwood
4-[(1S)-1-Aminoethyl]-benzoic acid methyl ester
250mg
$ 16.00

Oakwood
4-[(1S)-1-Aminoethyl]-benzoic acid methyl ester
1g
$ 38.00

Oakwood
4-[(1S)-1-Aminoethyl]-benzoic acid methyl ester
5g
$ 150.00

Matrix Scientific
(S)-Methyl 4-(1-aminoethyl)benzoate 95+%
5g
$ 325.00

Matrix Scientific
(S)-Methyl 4-(1-aminoethyl)benzoate 95+%
1g
$ 78.00

J&W Pharmlab
(S)-4-(1-Amino-ethyl)-benzoicacidmethylester 96%
1g
$ 35.00

Total 62 raw suppliers

Chemical Property of (S)-Methyl 4-(1-aminoethyl)benzoate

Chemical Property:

Vapor Pressure:0.00354mmHg at 25°C
Refractive Index:1.533
Boiling Point:281.5 °C at 760 mmHg
PKA:8?+-.0.10(Predicted)
Flash Point:140.5 °C
PSA：52.32000
Density:1.089 g/cm³
LogP:2.19320
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.094628657
Heavy Atom Count:13
Complexity:174

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4-?[(1S)?-?1-?Aminoethyl]?benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)C(=O)OC)N
Isomeric SMILES:C[C@@H](C1=CC=C(C=C1)C(=O)OC)N
Uses Methyl 4-[(1S)-1-Aminoethyl] benzoate is a reactant used in the preparation of prostanoid EP4 receptor antagonist which may be used in the treatment of osteoporosis, neurological disorders and cardiovascular diseases.

Technology Process of (S)-Methyl 4-(1-aminoethyl)benzoate

There total 7 articles about (S)-Methyl 4-(1-aminoethyl)benzoate 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: 94.0%

: methyl 4-((S)-1-(((S)-tert-butylsulfinyl)amino)ethyl)benzoate

: 222714-37-6
4-[(1S)-1-aminoethyl]-benzoic acid, methyl ester

Guidance literature:: With hydrogenchloride; In methanol; dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.jmedchem.9b01792

Reference yield: 35.0%

: 67-56-1
methanol

: 916211-64-8
(S)-4-(1-aminoethyl)benzoic acid hydrochloride salt

: 222714-37-6
4-[(1S)-1-aminoethyl]-benzoic acid, methyl ester

Guidance literature:: methanol; (S)-4-(1-aminoethyl)benzoic acid hydrochloride salt; With hydrogenchloride; for 20h; Heating / reflux;

With sodium hydrogencarbonate; In dichloromethane; water;