215789-45-0

Basic information

• Product Name: 4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER
• Synonyms: (4-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER;4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER;4-N-BOC-CYCLOHEXYLACETIC ACID METHYL ESTER;4-N-BOC-AMINOCYCLOHEXYLACETIC ACID METHYL ESTER;Methyl 2-(4-(tert-butoxycarbonylaMino)cyclohexyl)acetate;Methyl 2-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)acetate;trans-2-[4-[(tert-Butoxycarbonyl)aMino]cyclohexyl]acetic Acid Methyl Ester
• CAS NO: 215789-45-0
• Molecular Formula: C₁₄H₂₅NO₄
• Molecular Weight: 271.3526
• EINECS: 940-917-1
• Mol File: 215789-45-0.mol

Chemical Properties

• Boiling Point: 80-81.5°C
• Flash Point: 173.5°C
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 1.82E-05mmHg at 25°C
• Refractive Index: 1.474
• PKA: 12.42±0.40(Predicted)
• CAS DataBase Reference: 4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER(215789-45-0)
• EPA Substance Registry System: 4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER(215789-45-0)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 215789-45-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER is used as an intermediate for the synthesis of Cariprazine (C183490), a novel antipsychotic agent that targets dopamine D3/D2 receptors. 4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER plays a vital role in the development of new treatments for psychiatric disorders, such as schizophrenia and bipolar disorder, by modulating the activity of specific dopamine receptors in the brain.
As an intermediate in the synthesis of other pharmaceuticals, 4-N-BOC-CYCLOHEXYACETIC ACID METHYL ESTER may also be used in the development of additional medications with various therapeutic applications, such as treatments for neurological, cardiovascular, or metabolic disorders. Its versatility in chemical reactions and ability to be modified for specific applications make it a valuable compound in the pharmaceutical industry.

InChI:InChI=1/C14H25NO4/c1-14(2,3)19-13(17)15-11-7-5-10(6-8-11)9-12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17)

Upstream product

• 179321-49-4 N-(tert-butoxycarbonyl)-4-aminocyclohexanone 
• 67-56-1 methanol 
• 609805-49-4 t-butyl [trans-4-(2-diazoacetyl)cyclohexyl]carbamate 
• 61502-37-2 trans-(4-amino)-cyclohexylacetic acid hydrogen sulfate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 76308-27-5 trans-4-aminocyclohexylacetic acid methyl ester 

Downstream Products

• 1037124-11-0 trans-2-(4-tert-butoxycarbonylamino-cyclohexyl)-3-hydroxy-3-(6-methoxy-[1,5]naphthyridin-4-yl)-propionic acid methyl ester 
• 839712-12-8 Cariprazine 
• 506427-91-4 trans N-tert-butoxycarbonyl-4-{2-[4-(2,3-dichlorophenyl)-piperazin-1-yl]ethyl}-cyclohexylamine 
• 2093293-77-5 trans (2-(1-[4-(N-(tert-butoxycarbonyl))-amino]-cyclohexyl))ethyl 4-methylbenzenesulfonate 
• 917342-29-1 trans 2-{1-[4-(N-(tert-butoxycarbonyl))-amino]-cyclohexyl}ethanol 
• 76308-25-3 trans-4-aminocyclohexylacetic acid methyl ester hydrochloride 
• 215802-15-6 SB 269652 
• 215790-38-8 trans-2-(2-(1-4-(N-tert-butyloxycarbonyl)amino)cyclohexyl)ethyl-6-cyano-1,2,3,4-tetrahydroisoquinoline 
• 215790-43-5 trans-2-(2-(1-4-(N-tert-butyloxycarbonyl)amino)cyclohexyl)ethyl-7-cyano-1,2,3,4-tetrahydroisoquinoline 
• 215790-29-7 trans-2-(1-(4-(N-tert-butoxycarbonyl)amino)cyclohexyl)acetaldehyde 

Relevant articles and documents

Compound for preparation of cariprazine and preparation method thereof

The invention relates to a compound for preparation of cariprazine and a preparation method thereof. The method can overcome the defects in the prior art, the used raw materials and reagents are low toxic, cheap and easily available, the reaction conditions are mild, fewer three wastes are generated, at the same time, the operation is simple and safe, and the yield is good, therefore the method is suitable for industrialized production.

4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES

The invention relates to compounds of formula (I) wherein R0 represents H or OH; R1 represents alkoxy; U and W represent N, V represents CH and R2 represents H or F, or U and V represent CH, W represents N and R2 /su

FUSED FURAN COMPOUND

The present invention provides a condensed furan compound of the formula (I): wherein Ring X is benzene, pyridine, or the like; Y is an optionally substituted amino, an optionally substituted cycloalkyl, an optionally substituted aryl, an optionally substituted saturated heterocyclic group, an optionally substituted unsaturated heterocyclic group; A is a single bond, lower alkylene, lower alkenylidene, lower alkenylene or an oxygen atom; R3 is hydrogen or the like; and , R4 is hydrogen, or the like, or pharmaceutically acceptable salts thereof, which is useful as a medicament, particularly, as an activated blood coagulation factor X inhibitor.

Design and synthesis of trans-N-[4-[2-(6-cyano-1,2,3,4- tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-4-quinolinecarboxamide (SB- 277011): A potent and selective dopamine D3 receptor antagonist with high oral bioavailability and CNS penetration

A selective dopamine D3 receptor antagonist offers the potential for an effective antipsychotic therapy, free of the serious side effects of currently available drugs. Using clearance and brain penetration studies as a screen, a series of 1,2,3