4-tert-Butylphenylhydrazine hydrochloride

Base Information

• Chemical Name: 4-tert-Butylphenylhydrazine hydrochloride
• CAS No.: 128231-55-0
• Molecular Formula: C₁₀H₁₆N₂*ClH
• Molecular Weight: 200.711
• Hs Code.: 2928000090
• European Community (EC) Number: 678-798-0
• DSSTox Substance ID: DTXSID20926096
• Mol file: 128231-55-0.mol

Synonyms:128231-55-0;4-tert-Butylphenylhydrazine hydrochloride;(4-(tert-Butyl)phenyl)hydrazine hydrochloride;36600-66-5;4-tert-Butylphenylhydrazine monohydrochloride;4-tert-Butylphenylhydrazine HCL;(4-tert-butylphenyl)hydrazine hydrochloride;(4-tert-butylphenyl)hydrazine;hydrochloride;1-(4-tert-butylphenyl)hydrazine hydrochloride;Hydrazine, [4-(1,1-dimethylethyl)phenyl]-, hydrochloride (1:1);MFCD00013387;(4-(tert-Butyl)phenyl)hydrazine hydrochloride(1:x);(4-(tert-Butyl)phenyl)hydrazine xhydrochloride;[4-(tert-Butyl)phenyl]hydrazine xHydrochloride;1-[4-(Tert-butyl)phenyl]hydrazine hydrochloride;Benzoylformicacid;Hydrazine, [4-(1,1-dimethylethyl)phenyl]-, monohydrochloride;4-t-butylphenylhydrazine-hcl;SCHEMBL314944;DTXSID20926096;VTESCYNPUGSWKG-UHFFFAOYSA-N;AMY24749;4-t-butylphenylhydrazine hydrochloride;4t-butyl phenylhydrazine hydrochloride;AKOS005143662;CS-W002090;GS-3765;SB78193;SB78463;AC-19631;SY075285;4-tert-butyl-phenyl hydrazine hydrochloride;A6319;4-tert-butylphenyl-hydrazine monohydrochloride;EN300-128437;(4-(tert-Butyl)phenyl)hydrazinehydrochloride(1:x);4-(1,1-dimethylethyl)phenylhydrazine hydrochloride;A805797;4-(1,1-dimethylethyl) phenylhydrazine hydrochloride;4-(1,1-dimethylethyl)-phenylhydrazine hydrochloride;J-503378;4-(1,1-dimethylethyl)-phenyl hydrazine hydrochloride;(4-tert-Butylphenyl)hydrazine--hydrogen chloride (1/1);Hydrazine,[4-(1,1-dimethylethyl)phenyl]-,hydrochloride(1:1)

Chemical Property of 4-tert-Butylphenylhydrazine hydrochloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00609mmHg at 25°C
• Melting Point: 212-216 °C (dec.)(lit.)
• Refractive Index: 1.566
• Boiling Point: 272.4 °C at 760 mmHg
• Flash Point: 137.1 °C
• PSA: 38.05000
• Density: 1.009g/cm³
• LogP: 3.84500
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.1080262
• Heavy Atom Count: 13
• Complexity: 129

Purity/Quality:

98.00% ^*data from raw suppliers

(4-(tert-Butyl)phenyl)hydrazinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)NN.Cl
• Uses: It is used in the ring transformations of heterocyclic compounds and in the identification, synthesis, and pharmacological evaluation of tetrahydroindazole based ligands.

Technology Process of 4-tert-Butylphenylhydrazine hydrochloride

There total 2 articles about 4-tert-Butylphenylhydrazine hydrochloride 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: 90.0%

1-bromo-4-tert-butylbenzene (3972-65-4) → 4-tert-butylphenylhydrazine hydrochloride (36600-66-5,128231-55-0)

Guidance literature:

1-bromo-4-tert-butylbenzene; With potassium phosphate; copper(l) iodide; N,N′-bis(2,6-dimethylphenyl)oxalamide; cetyltrimethylammonim bromide; In water; at 80 ℃; for 0.25h; Schlenk technique; Inert atmosphere; Sealed tube;

With hydrazine hydrate; In water; at 80 ℃; Inert atmosphere; Schlenk technique; Sealed tube;

With hydrogenchloride; In water; pH=3 - 4; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/cjoc.201800326

Reference yield: 81.0%

4-tert-Butylaniline (769-92-6) → 4-tert-butylphenylhydrazine hydrochloride (36600-66-5,128231-55-0)

Guidance literature:

4-tert-Butylaniline; With hydrogenchloride; acetic acid; sodium nitrite; In water; at -10 ℃;

With hydrogenchloride; tin(ll) chloride; In water; at -15 ℃;

DOI:10.1016/j.ejmech.2003.07.001

Reference yield: 95.0%

(E)-1-(2-bromophenyl)-3-(N,N-dimethylamino)-2-propen-1-one (1203608-45-0) + 4-tert-butylphenylhydrazine hydrochloride (36600-66-5,128231-55-0) → 5-(2-bromophenyl)-1-(4-tert-butyl-phenyl)-1H-pyrazole

Guidance literature:

With sodium carbonate; acetic acid; In methanol; water; at 135 ℃; for 2h; pH=4; regioselective reaction;

DOI:10.1021/jo902257j

upstream raw materials:

4-tert-Butylaniline

1-bromo-4-tert-butylbenzene

Downstream raw materials:

8-^tbutyl-5,10-dihydroindeno<1,2-b>indole

5-Amino-1-(4-tert-butyl-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

5-tert-butyl-1H-indole-2-carboxylic acid ethyl ester

Refernces

• 1、 Bi, Fangchao,Song, Di,Qin, Yinhui,Liu, Xingbang,Teng, Yuetai,Zhang, Na,Zhang, Panpan,Zhang, Nan,Ma, Shutao. "Discovery of 1,3,4-oxadiazol-2-one-containing benzamide derivatives targeting FtsZ as highly potent agents of killing a variety of MDR bacteria strains". . p. 3179 - 3193. Retrieved 2019/06/17.
• 2、 Xu, Yao-Chang,Schaus, John M.,Walker, Clint,Krushinski, Joe,Adham, Nika,Zgombick, John M.,Liang, Sidney X.,Kohlman, Dan T.,Audia, James E.. "N-methyl-5-tert-butyltryptamine: A novel, highly potent 5-HT(1D) receptor agonist". . p. 526 - 531. Retrieved 2007/10/03.