1-BUTYL-1H-TETRAZOL-5-AMINE

Base Information

• Chemical Name: 1-BUTYL-1H-TETRAZOL-5-AMINE
• CAS No.: 6280-31-5
• Molecular Formula: C5H11N5
• Molecular Weight: 141.17
• Hs Code.: 2933990090
• Mol file: 6280-31-5.mol

Synonyms:1H-Tetrazole,5-amino-1-butyl- (8CI);Tetrazole, 5-amino-1-butyl- (6CI);NSC 11111;

Chemical Property of 1-BUTYL-1H-TETRAZOL-5-AMINE

Chemical Property:

• Vapor Pressure: 0.00176mmHg at 25°C
• Melting Point: 149-149.5 °C
• Refractive Index: 1.639
• Boiling Point: 293.1 °C at 760 mmHg
• PKA: 2.04±0.10(Predicted)
• Flash Point: 131 °C
• PSA: 69.62000
• Density: 1.34 g/cm³
• LogP: 0.63660

Purity/Quality:

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

1-butyl-1H-tetrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-BUTYL-1H-TETRAZOL-5-AMINE

There total 5 articles about 1-BUTYL-1H-TETRAZOL-5-AMINE 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%

N-butylthiourea (1516-32-1) → 1-n-butyl-1H-tetrazol-5-amine (6280-31-5)

Guidance literature:

N-butylthiourea; With iron(III) sulphate monohydrate; triethylamine; In dimethyl sulfoxide; at 20 ℃; for 2h;

With sodium azide; In dimethyl sulfoxide; at 20 ℃; for 3h; regioselective reaction;

DOI:10.1080/17415993.2021.1909589

Reference yield:

n-butylcyanamide (13510-29-7) → 1-n-butyl-1H-tetrazol-5-amine (6280-31-5)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1007/s10593-018-2303-1

Reference yield:

butyl isothiocyanate (592-82-5) → 1-n-butyl-1H-tetrazol-5-amine (6280-31-5)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydroxide / N,N-dimethyl-formamide / 1 h / 20 °C

2: cobalt(II) sulfate monohydrate; sodium acetate / N,N-dimethyl-formamide / 2 h / 20 °C

3: sodium azide / N,N-dimethyl-formamide / 2 h / 20 °C

With ammonium hydroxide; sodium azide; cobalt(II) sulfate monohydrate; sodium acetate; In N,N-dimethyl-formamide;

DOI:10.1007/s10593-018-2303-1

upstream raw materials:

pentanonitrile

bromocyane

N-butylamine

butyl isothiocyanate

Downstream raw materials:

(1-Butyl-1H-tetrazol-5-yl)-[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-amine

[(1-Butyl-1H-tetrazol-5-ylamino)-(4-fluoro-phenyl)-methyl]-phosphonic acid dimethyl ester

Refernces

• 1、 Seelam, Mohan,Kammela, Prasada Rao,Shaikh, Bajivali,Tamminana, Ramana,Bogiri, Sujatha. "Cobalt-promoted one-pot reaction of isothiocyanates toward the synthesis of aryl/alkylcyanamides and substituted tetrazoles". . p. 535 - 544. Retrieved 2018/07/05.