4-Methoxybenzyl carbazate

Base Information

• Chemical Name: 4-Methoxybenzyl carbazate
• CAS No.: 18912-37-3
• Molecular Formula: C9H12 N2 O3
• Molecular Weight: 196.206
• Hs Code.: 2928000090
• European Community (EC) Number: 242-664-6
• DSSTox Substance ID: DTXSID10172308
• Nikkaji Number: J124.090K
• Wikidata: Q83042418
• Mol file: 18912-37-3.mol

Synonyms:4-Methoxybenzyl carbazate;18912-37-3;p-Methoxybenzyl carbazate;4-Methoxybenzyl hydrazinecarboxylate;(4-methoxyphenyl)methyl N-aminocarbamate;Hydrazinecarboxylic acid, (4-methoxyphenyl)methyl ester;Carbazic acid, p-methoxybenzyl ester;EINECS 242-664-6;SCHEMBL669426;DTXSID10172308;4-Methoxybenzylhydrazinecarboxylate;Carbazic acid 4-methoxybenzyl ester;MFCD00042817;4-Methoxybenzyl hydrazinecarboxylate #;AKOS005206816;4-Methoxybenzyl carbazate, >=98.0%;[(4-methoxyphenyl)methoxy]carbohydrazide;AS-69867;CS-0315085;FT-0618923;E85418;J-012199

Chemical Property of 4-Methoxybenzyl carbazate

Chemical Property:

• Vapor Pressure: 2.53E-06mmHg at 25°C
• Melting Point: 75-78 °C
• Boiling Point: 391.1°C at 760 mmHg
• Flash Point: 190.3°C
• PSA: 73.58000
• Density: 1.209g/cm³
• LogP: 1.88630
• Water Solubility.: Insoluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

4-MethoxybenzylHydrazinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC(=O)NN
• Uses: It finds its application in the derived azide in N-protection and as a starting material for the azide used to introduce the pMZ-amino protection which is removable under mild hydrolytic conditions.

Technology Process of 4-Methoxybenzyl carbazate

There total 5 articles about 4-Methoxybenzyl carbazate 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:

C12H12N2O3 → 4-methoxybenzyl hydrazinecarboxylate (18912-37-3)

Guidance literature:

With hydrazine hydrate; In dichloromethane; at 0 - 20 ℃; for 1.5h;

DOI:10.1016/j.tet.2017.07.033

Reference yield:

phenyl chloroformate (1885-14-9) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyl hydrazinecarboxylate (18912-37-3)

Guidance literature:

With hydrazine hydrate;

DOI:10.1021/ja01558a026

Reference yield:

4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyl hydrazinecarboxylate (18912-37-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 1 h / 20 °C

2: hydrazine hydrate / dichloromethane / 1.5 h / 0 - 20 °C

With hydrazine hydrate; In dichloromethane;

DOI:10.1016/j.tet.2017.07.033

upstream raw materials:

phenyl chloroformate

4-Methoxybenzyl alcohol

4-methoxybenzyl phenyl carbonate

Downstream raw materials:

C₂₇H₂₉N₅O₆

N,N'-bis((4-methoxybenzyloxy)carbonylamino)-15,20-bis(3,5-di-tert-butylphenyl)-5,10-diiminoporphodimethenatonickel(II)

N,N'-Bis-(4-methoxy-benzyloxycarbonyl)-L-cystin

Z(OMe)-Lys(Z)-OH

Refernces

• 1、 Xie, Jian,Xu, Cai,Dai, Qianjin,Wang, Xiaozhong,Xu, Gang,Chen, Yingqi,Dai, Liyan. "Synthesis and application of a novel asymmetric azo reagent: 1-(tert-butyl)-2-(4-chlorobenzyl) azodicarboxylate (tBCAD)". . p. 5321 - 5326. Retrieved 2017/08/04.
• 2、 Itoh,Morino. "A convenient preparation of some alkyl carbazates, useful intermediates for amino-protection.". . p. 101 - 101. Retrieved 2007/10/05.