2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

Base Information

Chemical Name:2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
CAS No.:137401-45-7
Molecular Formula:C₁₀H₁₇NO₆
Molecular Weight:247.248
Hs Code.:2924199090
European Community (EC) Number:816-999-9
DSSTox Substance ID:DTXSID20451838
Nikkaji Number:J732.159G
Mol file:137401-45-7.mol

Synonyms:137401-45-7;2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid;2-tert-Butoxycarbonylaminomalonic acid monoethyl ester;2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER;2-tert-Butoxycarbonylamino-malonic acid monoethyl ester;2-{[(tert-butoxy)carbonyl]amino}-3-ethoxy-3-oxopropanoic acid;3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoic acid;MFCD09835539;N-Boc-2-amino-3-ethoxy-3-oxopropanoic Acid;SCHEMBL1731214;DTXSID20451838;JLNKUZUBBRTYOA-UHFFFAOYSA-N;BCP17648;AKOS015838706;CS-W021371;GS-4417;SB33187;SY032001;Ethyl N-(tert-butoxycarbonyl)-3-oxoserinate;FT-0645798;EN300-139419;A886502;2-tert-Butoxycarbonylaminomalonic acidmonoethylester;Z1708090028;2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoicacid;2-[N-(tert-butoxy)formamido]-3-ethoxy-3-oxopropanoic acid;2-[(tert-Butoxycarbonyl)amino]malonic acid hydrogen 1-ethyl ester

Suppliers and Price of 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

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

Matrix Scientific
2-tert-Butoxycarbonylaminomalonicacid monoethyl ester 95+%
1g
$ 700.00

Matrix Scientific
2-tert-Butoxycarbonylaminomalonicacid monoethyl ester 95+%
250mg
$ 324.00

Matrix Scientific
2-tert-Butoxycarbonylaminomalonicacid monoethyl ester 95+%
5g
$ 1750.00

Labseeker
2-(N-BOC-AMINO)MALONICACIDMONOETHYLESTER 95
10g
$ 1833.00

J&W Pharmlab
2-tert-Butoxycarbonylamino-malonicacidmonoethylester 96%
1g
$ 298.00

J&W Pharmlab
2-tert-Butoxycarbonylamino-malonicacidmonoethylester 96%
5g
$ 998.00

Crysdot
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoicacid 95%
25g
$ 1186.00

Crysdot
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoicacid 95%
10g
$ 644.00

Crysdot
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoicacid 95%
5g
$ 339.00

Chemenu
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoicacid 95%
25g
$ 294.00

Total 29 raw suppliers

Chemical Property of 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

Chemical Property:

Vapor Pressure:2.03E-07mmHg at 25°C
Melting Point:98-990C
Refractive Index:1.469
Boiling Point:397.2°C at 760 mmHg
PKA:2.12±0.34(Predicted)
Flash Point:194°C
PSA：101.93000
Density:1.209g/cm³
LogP:0.91830
Storage Temp.:2-8°C
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:247.10558726
Heavy Atom Count:17
Complexity:306

Purity/Quality:

97% ^*data from raw suppliers

2-tert-Butoxycarbonylaminomalonicacid monoethyl ester 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C
Uses 2-(N-BOC-AMINO)MALONIC ACID MONOETHYL ESTER is a readily decarboxylates. It can be prepared from D443800 and used immediately a procedure can be provided on request.

Technology Process of 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid

There total 6 articles about 2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic 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: 98.0%

: 102831-44-7
diethyl tert-butoxycarbonylaminomalonate

: 137686-07-8,137401-45-7
2-{[(tert-butoxy)carbonyl]amino}-3-ethoxy-3-oxopropanoic acid

Guidance literature:: With potassium hydroxide; In ethanol; at 20 ℃;
DOI:10.1016/j.tetlet.2014.06.100

Reference yield: 92.8%

: 137686-07-8,137401-45-7
2-{[(tert-butoxy)carbonyl]amino}-3-ethoxy-3-oxopropanoic acid

Guidance literature:

Reference yield:

: 13433-00-6
diethyl aminomalonate hydrochloride

: 137686-07-8,137401-45-7
2-{[(tert-butoxy)carbonyl]amino}-3-ethoxy-3-oxopropanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: KHCO₃ / H₂O; tetrahydrofuran; dioxane / 1.) 0 deg C, 2 h, 2.) room temperature

2: KOH / ethanol / 0 °C

With potassium hydroxide; potassium hydrogencarbonate; In tetrahydrofuran; 1,4-dioxane; ethanol; water;
DOI:10.1016/S0040-4020(99)00084-8