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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1391529Generated: November 3, 2026

Methyl isothiocyanate → N,1-dimethyl-5-nitro-1H-1,3-benzodiazol-2-amine

https://huagongshe.com/reaction/1391529

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl isothiocyanateHCID 11167—
Reactant1-N-methyl-4-nitrobenzene-1,2-diamineHCID 3420025—
ProductN,1-dimethyl-5-nitro-1H-1,3-benzodiazol-2-amineHCID 5339649453.3%

Reaction Steps

N1-methyl-4-nitro-benzene-1,2-diamine (2.0 g, 12.0 mmol) and methyl isothiocyanate (0.90 ml, 13.2 mmol) were coupled using the procedure of example one part B to give the title compound as a yellow solid (1.32 g, 53%). 1H NMR (300 MHz, d6-DMSO) δ 7.98 (d, J=2.1 Hz, 1H), 7.90 (dd, J=8.7 and 2.4 Hz, 1H), 7.32 (d, J=8.7 Hz, 1H), 7.15 (m, 1H), 3.55 (d, 3H), 2.95 (d, J=4.5 Hz, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07338959B2
Source datasetuspto-grants-2008_03
ORD IDord-2b62eb0a71c241b49e0e78788fa11c8b
Source noteuspto-grants-2008_03