Methyl 3-[(4-aminophenyl)sulfanyl]propanoate

Base Information

Chemical Name:Methyl 3-[(4-aminophenyl)sulfanyl]propanoate
CAS No.:131042-40-5
Molecular Formula:C₁₀H₁₃NO₂S
Molecular Weight:211.285
Hs Code.:
European Community (EC) Number:851-795-3

Synonyms:Methyl 3-[(4-aminophenyl)sulfanyl]propanoate;131042-40-5;SCHEMBL22614919;Methyl 3-((4-aminophenyl)thio)propanoate;CS-0263119;EN300-8521908

Suppliers and Price of Methyl 3-[(4-aminophenyl)sulfanyl]propanoate

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
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price

Total 1 raw suppliers

Chemical Property of Methyl 3-[(4-aminophenyl)sulfanyl]propanoate

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:211.06669983
Heavy Atom Count:14
Complexity:179

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CCSC1=CC=C(C=C1)N

Technology Process of Methyl 3-[(4-aminophenyl)sulfanyl]propanoate

There total 1 articles about Methyl 3-[(4-aminophenyl)sulfanyl]propanoate 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: 84.0%

: 7597-47-9
Methyl 3-<(4-nitrophenyl)sulfenyl>propanoate

: 131042-40-5
methyl 3-<(4-aminophenyl)thio>propanoate

Guidance literature:: With tin(ll) chloride; In ethyl acetate; for 4h; Heating;
DOI:10.1021/jm00105a038

Reference yield: 4.0%

: 131042-40-5
methyl 3-<(4-aminophenyl)thio>propanoate

: 407-25-0
trifluoroacetic anhydride

: 131042-41-6
methyl 3-<<4-(trifluoroacetamido)phenyl>thio>propanoate

: 131042-42-7
2,2,2-trifluoro-N-(4-{[4-(2,2,2-trifluoroacetylamino)phenyl]disulfanyl}phenyl)acetamide

Guidance literature:: In dichloromethane; 1.) 0 deg C, 10 min, 2.) RT, 20 min;
DOI:10.1021/jm00105a038

Reference yield:

: 131042-40-5
methyl 3-<(4-aminophenyl)thio>propanoate

: 131042-47-2
[4-(2-Amino-ethylsulfanyl)-phenyl]-(2-chloro-ethyl)-ethyl-amine

Guidance literature:: Multi-step reaction with 11 steps

1: 67 percent / CH₂Cl₂ / 1.) 0 deg C, 10 min, 2.) RT, 20 min

2: 70 percent / KOH / acetone / 7 h / Heating

3: 89 percent / K₂CO₃ / methanol; H₂O / 20 h / Ambient temperature

4: 62 percent / tetrahydrofuran; acetic acid / 96 h / Ambient temperature

5: Et₃N / CH₂Cl₂ / 0.5 h / 0 °C

6: LiCl / dimethylformamide / 0.08 h / 120 °C

7: 95 percent / concd. HCl / 1 h / Heating

8: Et₃N / acetone / 0.17 h / 0 °C

9: NaN₃ / acetone; H₂O / 0.5 h

10: toluene / 1 h / Heating

11: 2 N aq. HCl / 0.17 h / Heating

With hydrogenchloride; potassium hydroxide; sodium azide; potassium carbonate; triethylamine; lithium chloride; In tetrahydrofuran; methanol; dichloromethane; water; acetic acid; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1021/jm00105a038