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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 616699Generated: October 29, 2026

Water → 4-Isocyanatobenzene-1-thiol

https://huagongshe.com/reaction/616699

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPhosgeneHCID 6371—
Reactant4-(tert-butylsulfanyl)anilineHCID 10910177—
Reactant1-[(1,1-Dimethylethyl)thio]-4-nitrobenzeneHCID 12958322—
CatalystIronHCID 23925—
SolventAcetic AcidHCID 176—
SolventBenzeneHCID 241—
Product4-Isocyanatobenzene-1-thiolHCID 19075595—

Reaction Conditions

Temperature90 °C

Reaction Steps

To a suspension of 4-(t-butylmercapto)nitrobenzene (52.8 g., 0.25 mol) and iron powder (150 g.) in 1 l. of water there was added 1 ml. of acetic acid. The reaction mixture was stirred 18 hours at 90° C. and filtered. Both the residue and filtrate were extracted several times with methylene dichloride, and the combined dried methylene dichloride extracts were concentrated at reduced pressure to give 18.2 g. of a brown oil. This is a 40% weight yield of 4-(t-butylmercapto)aniline. To this oil in 100 ml. of benzene there was then added dropwise 158 g. of a 12.5% benzene solution of phosgene (0.2 mol) with cooling. The reaction mixture was stirred for 1 hour at 10° C., overnight at room temperature and then at reflux temperature for 7 hours. After standing overnight the reaction mixture was filtered, the filtrate concentrated at reduced pressure, then vacuum-distilled. Two product fractions were collected as

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS04075345
Source datasetuspto-grants-1978_02
ORD IDord-cf72c76e56fb436d9add06f9f7dfe9d2
Source noteuspto-grants-1978_02