Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-

Base Information

Chemical Name:Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-
CAS No.:105315-55-7
Molecular Formula:C₂₁H₁₉NO₈
Molecular Weight:413.384
Hs Code.:
DSSTox Substance ID:DTXSID90147079
Wikidata:Q83012147
Mol file:105315-55-7.mol

Synonyms:105315-55-7;Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-;DTXSID90147079;LS-36977

Suppliers and Price of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-

Chemical Property:

Vapor Pressure:1.04E-13mmHg at 25°C
Boiling Point:567.3°C at 760 mmHg
Flash Point:296.9°C
Density:1.373g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:413.11106656
Heavy Atom Count:30
Complexity:697

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C(=O)OC3=CC=C(C=C3)C(=O)O)C

Technology Process of Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-

There total 4 articles about Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)- 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: 93.0%

: 4-{2-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxycarbonyl)-methyl-amino]-2-oxo-acetoxy}-benzoic acid benzyl ester

: 105315-55-7
4-{2-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxycarbonyl)-methyl-amino]-2-oxo-acetoxy}-benzoic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethyl acetate; for 2.5h; Ambient temperature;
DOI:10.1021/jf00040a035

Reference yield:

: 1563-66-2
2,3-dihydro-2,2-dimethyl-7-benzofuranol methylcarbamate

: 105315-55-7
4-{2-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxycarbonyl)-methyl-amino]-2-oxo-acetoxy}-benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / 1,2-dichloro-ethane / 80 °C

2: Et₃N / diethyl ether / Ambient temperature

3: 93 percent / H₂ / 10percent Pd/C / ethyl acetate / 2.5 h / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In diethyl ether; ethyl acetate; 1,2-dichloro-ethane;
DOI:10.1021/jf00040a035

Reference yield:

: 88241-19-4
Chlorooxalyl-methyl-carbamic acid 2,2-dimethyl-2,3-dihydro-benzofuran-7-yl ester

: 105315-55-7
4-{2-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxycarbonyl)-methyl-amino]-2-oxo-acetoxy}-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / diethyl ether / Ambient temperature

2: 93 percent / H₂ / 10percent Pd/C / ethyl acetate / 2.5 h / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In diethyl ether; ethyl acetate;
DOI:10.1021/jf00040a035