1,3-Di-Boc-2-(2-hydroxyethyl)guanidine

Base Information

• Chemical Name: 1,3-Di-Boc-2-(2-hydroxyethyl)guanidine
• CAS No.: 215050-11-6
• Molecular Formula: C13H25 N3 O5
• Molecular Weight: 303.359
• DSSTox Substance ID: DTXSID20401171
• Nikkaji Number: J1.066.318K
• Mol file: 215050-11-6.mol

Synonyms:1,3-Di-Boc-2-(2-hydroxyethyl)guanidine;215050-11-6;Tert-butyl N-[N'-(2-hydroxyethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate;1 3-DI-BOC-2-(2-HYDROXYETHYL)GUANIDINE;SCHEMBL1309737;SCHEMBL12074270;SCHEMBL18257731;DTXSID20401171;BS-51389;CS-0154451;FT-0717802;E76853;J-014116;N,N''-bis(t-butoxycarbonyl)-N'-(2-hydroxyethyl)guanidine;1,3-Di-Boc-2-(2-hydroxyethyl)guanidine, >=96.0% (HPLC)

Chemical Property of 1,3-Di-Boc-2-(2-hydroxyethyl)guanidine

Chemical Property:

• Melting Point: 121-126 °C
• Refractive Index: 1.489
• PSA: 109.25000
• Density: 1.13g/cm³
• LogP: 2.16590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 303.17942091
• Heavy Atom Count: 21
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

1,3-Di-Boc-2-(2-hydroxyethyl)guanidine ≥96.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(=NCCO)NC(=O)OC(C)(C)C

Technology Process of 1,3-Di-Boc-2-(2-hydroxyethyl)guanidine

There total 7 articles about 1,3-Di-Boc-2-(2-hydroxyethyl)guanidine 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%

ethanolamine (141-43-5) + 1,3-di(tert-butyloxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine (207857-15-6) → N,N’‘-bis(tert-butoxycarbonyl)-N’-(2-hydroxyethyl)guanidine (215050-11-6)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jo9814344

Reference yield: 98.0%

ethanolamine (141-43-5) + N,N'-bis-Boc-S-methyl-isothiourea (322474-21-5) → N,N’‘-bis(tert-butoxycarbonyl)-N’-(2-hydroxyethyl)guanidine (215050-11-6)

Guidance literature:

With triethylamine; mercury dichloride; In N,N-dimethyl-formamide; at 25 ℃; for 4h;

DOI:10.1016/S0968-0896(98)00090-X

Reference yield: 86.0%

ethanolamine (141-43-5) + tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate (145013-05-4) → N,N’‘-bis(tert-butoxycarbonyl)-N’-(2-hydroxyethyl)guanidine (215050-11-6)

Guidance literature:

With mercury dichloride; In tetrahydrofuran; at 20 ℃; for 10h;

DOI:10.1134/S1070428019120030

upstream raw materials:

ethanolamine

N,N'-bis-Boc-S-methyl-isothiourea

1,3-di(tert-butyloxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine

di-tert-butyl dicarbonate

Downstream raw materials:

C₃₃H₄₆N₆O₁₂S

C₃₇H₄₈N₆O₁₂S

C₃₄H₅₄N₆O₁₃

5-acetyl-6-(2-(N,N'-di-Boc-guanidino)ethoxy)-7-[3-(4-fluorophenyl)butoxy]-2,4-dimethylbenzooxazole

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