N-(tert-Butoxycarbonyl)glycine-1-13C

Base Information

Chemical Name:N-(tert-Butoxycarbonyl)glycine-1-13C
CAS No.:97352-64-2
Molecular Formula:C₇H₁₃NO₄
Molecular Weight:176.174
Hs Code.:
European Community (EC) Number:693-124-5
DSSTox Substance ID:DTXSID50583878
Wikidata:Q82475487
Mol file:97352-64-2.mol

Synonyms:97352-64-2;N-(tert-Butoxycarbonyl)glycine-1-13C;Boc-Gly-OH-1-13C;boc-glycine-13c;CID 16213335;Betahistinemesylate;starbld0016646;DTXSID50583878;(A+/-)-[13C]-Boc-glycine;HY-Y0978S3;Boc-Gly-OH-1-13C, 99 atom % 13C;N-(tert-Butoxycarbonyl)(1-~13~C)glycine;CS-0376148;Glycine-1-13c,N-[(1,1-dimethylethoxy)carbonyl]-(9ci)

Suppliers and Price of N-(tert-Butoxycarbonyl)glycine-1-13C

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

Sigma-Aldrich
Boc-Gly-OH-1-13C 99 atom %
1g
$ 934.00

American Custom Chemicals Corporation
BOC-GLY-OH-1-13C 95.00%
1G
$ 1517.16

Total 4 raw suppliers

Chemical Property of N-(tert-Butoxycarbonyl)glycine-1-13C

Chemical Property:

Melting Point:86-89 °C(lit.)
PSA：75.63000
LogP:0.98660
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:176.08781273
Heavy Atom Count:12
Complexity:182

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-Gly-OH-1-13C 99 atom % ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-41
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NCC(=O)O
Isomeric SMILES:CC(C)(C)OC(=O)NC[13C](=O)O

Technology Process of N-(tert-Butoxycarbonyl)glycine-1-13C

There total 4 articles about N-(tert-Butoxycarbonyl)glycine-1-13C 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: 100.0%

: 145142-95-6
C₈⁽¹³⁾CH₁₇NO₄

: 97352-64-2
2-((tert-butoxycarbonyl)amino)-(1-¹³C)acetic acid

Guidance literature:: saponification;
DOI:10.1039/c39920001332

Reference yield: 94.0%

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

: 20110-59-2
[1-13C]-glycine

: 97352-64-2
2-((tert-butoxycarbonyl)amino)-(1-¹³C)acetic acid

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; water; at 0 - 20 ℃; for 1h;
DOI:10.1039/c5cc05348j

Reference yield:

: 145142-89-8
C₁₃⁽¹³⁾CH₂₅NO₆

: 97352-64-2
2-((tert-butoxycarbonyl)amino)-(1-¹³C)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: TFA / CH₂Cl₂ / 3 h

2: 1.0 M aq. NaOH / dioxane / 3 h

With sodium hydroxide; trifluoroacetic acid; In 1,4-dioxane; dichloromethane;