1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate

Base Information

Chemical Name:1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate
CAS No.:180322-79-6
Molecular Formula:C15H19 N O4
Molecular Weight:277.32
Hs Code.:2922498590
DSSTox Substance ID:DTXSID80939324
Wikidata:Q82915791
Mol file:180322-79-6.mol

Synonyms:DTXSID80939324;1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate

Suppliers and Price of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate

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

Atlantic Research Chemicals
(1S,2S)-1-[(tert-Butoxycarbonyl)amino]-2-phenylcyclopropanecarboxylicacid 95%
50mgs:
$ 212.07

American Custom Chemicals Corporation
(1S,2S)-N-BOC-1-AMINO-2-PHENYLCYCLOPROPANECARBOXYLIC ACID 95.00%
50MG
$ 647.61

Total 11 raw suppliers

Chemical Property of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate

Chemical Property:

Vapor Pressure:6.78E-09mmHg at 25°C
Melting Point:179-181 °C
Refractive Index:1.5080 (estimate)
Boiling Point:450.3°Cat760mmHg
Flash Point:226.1°C
PSA：75.63000
Density:g/cm³
LogP:2.91290
Storage Temp.:Refrigerator (+4°C)
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:276.12358306
Heavy Atom Count:20
Complexity:390

Purity/Quality:

98%Min ^*data from raw suppliers

(1S,2S)-1-[(tert-Butoxycarbonyl)amino]-2-phenylcyclopropanecarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1(CC1C2=CC=CC=C2)C(=O)[O-]
Isomeric SMILES:CC(C)(C)OC(=O)N[C@]1(C[C@H]1C2=CC=CC=C2)C(=O)[O-]

Technology Process of 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate

There total 5 articles about 1-{[tert-Butoxy(hydroxy)methylidene]amino}-2-phenylcyclopropane-1-carboxylate 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: 89.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 1196666-18-8
4-methoxyphenyl-(1S,2S)-(Z)-1-amino-2-phenylcyclopropanecarboxylate

: 180322-79-6
(1S,2S)-(Z)-1-[N-[[(1,1-dimethylethyl)oxy]carbonyl]amino]-2-phenylcyclopropane-1-carboxylic acid

Guidance literature:: 4-methoxyphenyl-(1S,2S)-(Z)-1-amino-2-phenylcyclopropanecarboxylate; With lithium hydroxide; In tetrahydrofuran; water; at 40 ℃; for 2h;

di-tert-butyl dicarbonate; In tetrahydrofuran; water; at 60 ℃; for 24h;
DOI:10.1021/ja9044955

Reference yield: 77.0%

: 180322-78-5
(1S,2S)-1-tert-Butoxycarbonylamino-2-phenyl-cyclopropanecarboxylic acid methyl ester

: 180322-79-6
(1S,2S)-(Z)-1-[N-[[(1,1-dimethylethyl)oxy]carbonyl]amino]-2-phenylcyclopropane-1-carboxylic acid

Guidance literature:: With potassium hydroxide; In tetrahydrofuran; for 18h; Ambient temperature;
DOI:10.1021/ja9604931

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 180322-79-6
(1S,2S)-(Z)-1-[N-[[(1,1-dimethylethyl)oxy]carbonyl]amino]-2-phenylcyclopropane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 2-methyl-propan-2-ol; hexane / 2 h / Heating

2: 77 percent / aq. KOH / tetrahydrofuran / 18 h / Ambient temperature

With potassium hydroxide; In tetrahydrofuran; hexane; tert-butyl alcohol;
DOI:10.1021/ja9604931