3-(1-{[(Tert-butoxy)carbonyl]amino}-2-hydroxyethyl)benzoic acid

Base Information

Chemical Name:3-(1-{[(Tert-butoxy)carbonyl]amino}-2-hydroxyethyl)benzoic acid
CAS No.:213487-97-9
Molecular Formula:C₁₄H₁₉NO₅
Molecular Weight:281.309
Hs Code.:
DSSTox Substance ID:DTXSID801153628

Synonyms:213487-97-9;Benzoic acid, 3-[1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxyethyl]-;DTXSID801153628;AKOS034019531;EN300-366500;Z1508746872;3-(1-{[(tert-butoxy)carbonyl]amino}-2-hydroxyethyl)benzoic acid;3-[1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxyethyl]benzoic acid

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

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Chemical Property of 3-(1-{[(Tert-butoxy)carbonyl]amino}-2-hydroxyethyl)benzoic acid

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:281.12632271
Heavy Atom Count:20
Complexity:350

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CO)C1=CC(=CC=C1)C(=O)O

Technology Process of 3-(1-{[(Tert-butoxy)carbonyl]amino}-2-hydroxyethyl)benzoic acid

There total 4 articles about 3-(1-{[(Tert-butoxy)carbonyl]amino}-2-hydroxyethyl)benzoic 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:

: 3-(1-tert-Butoxycarbonylamino-2-hydroxy-ethyl)-benzoic acid ethyl ester

: 213487-97-9
3-(1-tert-Butoxycarbonylamino-2-hydroxy-ethyl)-benzoic acid

Guidance literature:: With sodium hydroxide; In methanol; Yield given;
DOI:10.1021/jm981015z

Reference yield:

: 2196-57-8
amino-(3-carboxy-phenyl)-acetic acid

: 213487-97-9
3-(1-tert-Butoxycarbonylamino-2-hydroxy-ethyl)-benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂ / ethanol / Heating

2: Et₃N / dimethylformamide

3: NaBH₄, LiCl / ethanol; tetrahydrofuran / 0 °C

4: 1 N NaOH / methanol

With sodium hydroxide; sodium tetrahydroborate; thionyl chloride; triethylamine; lithium chloride; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm981015z

Reference yield:

: 3-(Amino-ethoxycarbonyl-methyl)-benzoic acid ethyl ester

: 213487-97-9
3-(1-tert-Butoxycarbonylamino-2-hydroxy-ethyl)-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / dimethylformamide

2: NaBH₄, LiCl / ethanol; tetrahydrofuran / 0 °C

3: 1 N NaOH / methanol

With sodium hydroxide; sodium tetrahydroborate; triethylamine; lithium chloride; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm981015z