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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1632456Generated: November 4, 2026

Acetic Acid → HCID 20239854, compound

https://huagongshe.com/reaction/1632456

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantWaterHCID 962—
ReactantHexamethylenetetramineHCID 4101—
Reactant4,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-1-olHCID 20239858—
SolventTolueneHCID 1140—
ProductHCID 20239854HCID 20239854—

Reaction Conditions

Temperature20 °C

Reaction Steps

Formylation. 1-Hydroxy-4,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene (78 g, 0.358 mol) was stirred with glacial acetic acid (632 mL) and hexamethylenetetramine (93.6 g, 0.669 mol). The mixture was heated at 105°-110° C. for 10 h. Hot water (632 mL) was added and the heating was continued for an additional 2.5 h at 100° C. The mixture was cooled to 20° C., toluene (250 mL) was added, and the mixture was stirred vigorously. The organic layer was separated, washed with water (2×50 mL), then neutralized with 5% NaHCO3 solution, and finally washed with brine (50 mL). The solvent was removed by distillation and the residue distilled to yield 2-formyl-1-hydroxy-4,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene (45 g), bp 138°-146° C./1 mm, GLC purity 95%. 1H-NMR (CDCl3) δ11.63 (1H, s), 9.73 (1H, s), 7.09 (1H, s), 2.52 (3H, s), 1.66 (3H, s), 1.47 (6H, s), 1.42 (6H, s). 13C-NMR (CDCl3) δ196 (1C, d), 159 (1C, s), 155 (1C, s), 134.7 (1C, d), 134.1 (1C, s), 128 (1C, s), 118.1 (1C, s), 39.3 (1C, t), 37.8 (1C, t), 36.5 (1C, s), 35.2 (1C, s), 28.7 (2C, q), 27.9 (2C, q), 23.5 (1C, q). IR (KBr) 1637 cm- 1, MS (m/e) 246.2 (M+, 36.1), 231.2 (100.0), 161.2 (41.6), 189.1 (27.9).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS04476040
Source datasetuspto-grants-1984_10
ORD IDord-e7a12e6d35c14370a11ff1caf6301920
Source noteuspto-grants-1984_10