1-(4-Morpholinomethyl)-1H-benzotriazole

Base Information

Chemical Name:1-(4-Morpholinomethyl)-1H-benzotriazole
CAS No.:5472-71-9
Molecular Formula:C11H14 N4 O
Molecular Weight:218.258
Hs Code.:2934999090
European Community (EC) Number:226-813-2
NSC Number:29448
UNII:91S3WP4AQU
DSSTox Substance ID:DTXSID30203188
Nikkaji Number:J210.553E
Wikidata:Q83076536
ChEMBL ID:CHEMBL1492579
Mol file:5472-71-9.mol

Synonyms:5472-71-9;4-(benzotriazol-1-ylmethyl)morpholine;1-(4-Morpholinomethyl)-1H-benzotriazole;NSC29448;1H-Benzotriazole, 1-(4-morpholinylmethyl)-;NSC-29448;91S3WP4AQU;(4-MORPHOLINYLMETHYL)BENZOTRIAZOLE;1-(4-Morpholinylmethyl)-1H-1,2,3-benzotriazole;EINECS 226-813-2;NSC 29448;1-(4-Morpholinylmethyl)-1H-benzotriazole;C11H14N4O;4-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)morpholine;1-Morpholin-4-ylmethyl-1H-benzotriazole;UNII-91S3WP4AQU;Oprea1_470089;CBDivE_001770;SCHEMBL2491350;CHEMBL1492579;DTXSID30203188;NCI29448;BT-218;CCG-38004;NCGC00013363;STK926169;N-(benzotriazol-1-ylmethyl)morpholine;AKOS000271311;NCGC00013363-02;NCGC00096480-01;NCI60_002438;1-(morpholin-4-ylmethyl)-1H-benzotriazole;CS-0270448;1H-BENZOTRIAZOLE, 1-(MORPHOLINOMETHYL)-;4-(1H-1,2,3-benzotriazol-1-ylmethyl)morpholine;SR-01000394294;1-(4-Morpholinylmethyl)-1H-1,2,3-benzotriazole #;1-(Morpholin-4-ylmethyl)-1H-1,2,3-benzotriazole;SR-01000394294-1;1-((MORPHOLIN-4-YL)METHYL)-1H-BENZOTRIAZOLE;1-[(morpholin-4-yl)methyl]-1H-1,2,3-benzotriazole

Suppliers and Price of 1-(4-Morpholinomethyl)-1H-benzotriazole

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
(4-Morpholinylmethyl)benzotriazole, mixture of Bt1 and Bt2 isomers 97%
1g
$ 100.00

Oakwood
1-(Morpholin-4-ylmethyl)-1H-1,2,3-benzotriazole 96%
500mg
$ 350.00

Oakwood
1-(Morpholin-4-ylmethyl)-1H-1,2,3-benzotriazole 96%
100mg
$ 175.00

American Custom Chemicals Corporation
(4-MORPHOLINYLMETHYL)BENZOTRIAZOLE 97.00%
10G
$ 1576.58

Total 9 raw suppliers

Chemical Property of 1-(4-Morpholinomethyl)-1H-benzotriazole

Chemical Property:

Vapor Pressure:2.47E-14mmHg at 25°C
Melting Point:104-107 °C(lit.)
Boiling Point:381.8°Cat760mmHg
PKA:4.63±0.10(Predicted)
Flash Point:184.7°C
PSA：54.04000
Density:1.35g/cm³
LogP:0.72800
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:218.11676108
Heavy Atom Count:16
Complexity:232

Purity/Quality:

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

(4-Morpholinylmethyl)benzotriazole, mixture of Bt1 and Bt2 isomers 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1COCCN1CN2C3=CC=CC=C3N=N2

Technology Process of 1-(4-Morpholinomethyl)-1H-benzotriazole

There total 8 articles about 1-(4-Morpholinomethyl)-1H-benzotriazole 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: 80.0%

: 110-91-8,99108-56-2
morpholine

: 111098-30-7
Benzotriazol-1-ylmethyl-(4-methyl-pyridin-2-yl)-amine

: 5472-71-9
1-(4-morpholinomethyl)-1H-benzotriazole

Guidance literature:: at 100 ℃; for 0.5h;

Reference yield: 54.0%

: 110-91-8,99108-56-2
morpholine

: 95-14-7,27556-51-0
1,2,3-Benzotriazole

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 5472-71-9
1-(4-morpholinomethyl)-1H-benzotriazole

Guidance literature:: In methanol; for 4h; Cooling with ice;
DOI:10.4067/S0717-97072010000300021

Reference yield:

: 28539-02-8
1-Hydroxymethyl-1H-benzotriazole

: 5472-71-9
1-(4-morpholinomethyl)-1H-benzotriazole

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / ethanol / 5 h / Ambient temperature

2: 80 percent / 0.5 h / 100 °C

In ethanol;