CAS 108-94-1

cyclohexanone4-CyclohexanoneCyclohexanone

Codes：ESKE-006、(II)270899-2-a、DESV-010、Desvenlafaxine-007

Application context (from source-drug indications)

重度抑郁症盐酸艾司氯胺酮自杀意念盐酸艾司氯胺酮抑郁症盐酸艾司氯胺酮麻醉盐酸艾司氯胺酮难治性抑郁症盐酸艾司氯胺酮疼痛盐酸艾司氯胺酮抑郁症琥珀酸去甲文拉法辛重度抑郁症琥珀酸去甲文拉法辛抑郁琥珀酸去甲文拉法辛糖尿病神经病变琥珀酸去甲文拉法辛疼痛琥珀酸去甲文拉法辛纤维肌痛琥珀酸去甲文拉法辛重度抑郁症地文拉法辛抑郁症地文拉法辛

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
盐酸艾司氯胺酮Esketamine Hydrochloride	Tier B — Position early	2029
琥珀酸去甲文拉法辛Desvenlafaxine Succinate Hydrate	Tier C — Watch / trade	-
地文拉法辛Desvenlafaxine	Tier C — Watch / trade	-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

盐酸艾司氯胺酮优化路线steps: 4total yield: 6.60 mg (Esketamine Hydrochloride)

1-chloro-2-iodobenzene→cyclohexanone→2-(2-chlorophenyl)cyclohexan-1-one→di-tert-butyl (E)-diazene-1,2-dicarboxylate→di-tert-butyl (S)-1-(1-(2-chlorophenyl)-2-oxocyclohexyl)hydrazine-1,2-dicarboxylate→(S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one

盐酸艾司氯胺酮优化路线steps: 4total yield: /

1-Chloro-2-iodobenzene→4-Cyclohexanone→2-(2-Chlorophenyl)cyclohexanone→(E)-Di-tert-butyl azodiformate→Di-tert-butyl 1-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]hydrazine-1,2-dicarboxylate→(-)-2(S)-Amino-2-(2-chlorophenyl)cyclohexanone→(1S)-2'-Chloro-1-isocyanato-6-methoxy-1,2,3,4-tetrahydro-1,1'-biphenyl→Formaldehyde→(2S)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone

琥珀酸去甲文拉法辛优化路线steps: 4total yield: 0.43 g

2-(4-hydroxyphenyl)acetic acid→DESV-008→DESV-009→cyclohexanone→DESV-011

琥珀酸去甲文拉法辛优化路线steps: 5total yield: 6.4 g

DESV-005→4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol→cyclohexanone→2-(4-methoxyphenyl)acetonitrile→2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile→1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol

琥珀酸去甲文拉法辛优化路线steps: 4total yield: 82 g

4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol→cyclohexanone→2-(4-methoxyphenyl)acetonitrile→2-(4-hydroxyphenyl)acetonitrile→DESV-021

琥珀酸去甲文拉法辛优化路线steps: 4total yield: /

cyclohexanone→DESV-022→DESV-023→DESV-024→DESV-025

地文拉法辛优化路线steps: 5total yield: /

2-[4-(benzyloxy)phenyl]acetic acid→2-[4-(benzyloxy)phenyl]acetyl chloride→2-[4-(benzyloxy)phenyl]-N,N-dimethylacetamide→Cyclohexanone→2-[4-(benzyloxy)phenyl]-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide→1-{1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexan-1-ol

地文拉法辛优化路线steps: 7total yield: 5.8g(Desvenlafaxine (Free))

2-(4-Hydroxyphenyl)acetic acid→2-(4-Hydroxyphenyl)acetyl chloride→Dimethylamine→2-(4-Hydroxyphenyl)-N,N-dimethylacetamide→2-[4-[tert-Butyl(dimethyl)silyloxy]phenyl]-N,N-dimethylacetamide→Cyclohexanone→2-[4-[tert-Butyl(dimethyl)silyloxy]phenyl]-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol→2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N,N-dimethylacetamide

地文拉法辛优化路线steps: 10total yield: 82.4g(Desvenlafaxine succinate (API))

2-(4-Hydroxyphenyl)acetonitrile→Cyclohexanone→(1-Hydroxycyclohexyl)(4-hydroxyphenyl)acetonitrile→4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenol→2-[4-(Oxan-2-yloxy)phenyl]acetonitrile→[4-(Benzyloxy)phenyl]acetonitrile→2-(1-Hydroxycyclohexyl)-2-[4-(oxan-2-yloxy)phenyl]acetonitrile→[4-(Benzyloxy)phenyl](1-hydroxycyclohexyl)acetonitrile→Iodomethane→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

地文拉法辛优化路线steps: 8total yield: 82g(Desvenlafaxine succinate (API))

2-(4-Methoxyphenyl)acetonitrile→2-(4-Hydroxyphenyl)acetonitrile→[4-[(2-Methoxyethoxy)methoxy]phenyl]acetonitrile→Cyclohexanone→(1-Hydroxycyclohexyl)[4-[(2-methoxyethoxy)methoxy]phenyl]acetonitrile→Dimethylamine hydrochloride→Desvenlafaxine-036→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol→(1-Hydroxycyclohexyl)(4-hydroxyphenyl)acetonitrile

地文拉法辛优化路线steps: 10total yield: 73.72g(Desvenlafaxine succinate (API))

2-(4-Methoxyphenyl)acetonitrile→Cyclohexanone→2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile→1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol→1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride→1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride→1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol→1-[2-(Dimethylamino)-1-[4-[(4-methoxybenzyl)oxy]phenyl]ethyl]cyclohexanol→1-{1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexan-1-ol→Butanedioic acid 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

地文拉法辛优化路线steps: 8total yield: 5.13g(Desvenlafaxine succinate (API))

1-(4-Hydroxyphenyl)ethanone→1-[4-(Benzyloxy)phenyl]ethanone→1-[4-(benzyloxy)phenyl]-2-bromoethan-1-one→Dimethylamine→1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethanone hydrobromide→1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethanol hydrochloride→2-[4-(Benzyloxy)phenyl]-2-chloro-N,N-dimethylethanamine hydrochloride→Cyclohexanone→1-{1-[4-(Benzyloxy)phenyl]-2-(dimethylamino)ethyl}cyclohexan-1-ol→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

地文拉法辛工艺路线steps: 4total yield: 1kg(Desvenlafaxine (Free))

3-(4-Hydroxyphenyl)propanenitrile→Cyclohexanone→3-Cyclohexylidene-3-(4-hydroxyphenyl)propanenitrile→[2-(4-Hydroxyphenyl)-1-oxaspiro[2.5]octan-2-yl]acetonitrile→4-[2-Amino-1-(1-hydroxycyclohexyl)ethyl]phenol→4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

Intermediates available on this site

No listed intermediates for this target yet — send an RFQ directly and it will enter our matching pool.

This is a CAS-level registry record: registrations across routes are merged. Supplier offers and buyer demands will be matched on this CAS as the primary key.