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CAS

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(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE is an organic compound characterized by its unique molecular structure, featuring a phenyl ring with two trifluoromethyl groups at the 3,5-positions and an ethylamine group attached to the first carbon. (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE is known for its potential applications in various fields due to its specific chemical properties.

127733-47-5

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127733-47-5 Usage

Uses

Used in Pharmaceutical Industry:
(R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE is used as a key intermediate in the synthesis of various pharmaceutical compounds, particularly for the development of highly potent thiourea inhibitors of cytomegalovirus. These inhibitors play a crucial role in the treatment of cytomegalovirus infections, which can be severe and life-threatening in immunocompromised individuals.
In the pharmaceutical industry, (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE serves as a building block for the creation of new drugs targeting cytomegalovirus, a significant pathogen that can cause various health issues, especially in individuals with weakened immune systems. The compound's unique structure allows for the design of effective inhibitors that can help combat the virus and improve patient outcomes.

Check Digit Verification of cas no

The CAS Registry Mumber 127733-47-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,7,7,3 and 3 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 127733-47:
(8*1)+(7*2)+(6*7)+(5*7)+(4*3)+(3*3)+(2*4)+(1*7)=135
135 % 10 = 5
So 127733-47-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m1/s1

127733-47-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine

1.2 Other means of identification

Product number -
Other names PC8013

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:127733-47-5 SDS

127733-47-5Relevant articles and documents

Indanyl-piperazine compounds

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Page/Page column 21-22, (2010/11/24)

A compound selected from those of formula (I): wherein: R3 represents a hydrogen atom, and R1 and R2 together with the carbon atoms carrying them form a benzene, naphthalene or quinoline ring structure, each of the ring structures being optionally substituted, ?or R1 represents a hydrogen atom, and R2 and R3 together with the carbon atoms carrying them form a benzene, naphthalene or quinoline ring structure, each of the ring structures being optionally substituted, n represents 1 or 2, —X— represents a group selected from —(CH2)m—O-Ak-, —(CH2)m—NR4-Ak-, —(CO)—NR4-Ak- and —(CH2)m—NR4-(CO)—, ?m represents an integer between 1 and 6 inclusive, Ak represents an optionally substituted alkylene chain, and R4 represents a hydrogen atom or an alkyl group, Ar represents an aryl or heteroaryl group, its enantiomers, diasteroisomers, and addition salts thereof with a pharmaceutically acceptable acid. Medical products containing the same which are useful in the treatment of conditions requiring a serotonin reuptake inhibitor and/or NK1 antagonist.

Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same

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Page column 33-34, (2008/06/13)

An optically active 1-(fluoro- or trifluoromethyl-substituted phenyl)ethylamine is produced with high optical purity and in an industrially simple and efficient manner by asymmetrically reducing an optically active imine, obtained by dehydration and conde

Thiourea inhibitors of herpes viruses. Part 2: N-Benzyl-N′- arylthiourea inhibitors of CMV

Bloom, Jonathan D.,Dushin, Russell G.,Curran, Kevin J.,Donahue, Fran,Norton, Emily B.,Terefenko, Eugene,Jones, Thomas R.,Ross, Adma A.,Feld, Boris,Lang, Stanley A.,DiGrandi, Martin J.

, p. 3401 - 3406 (2007/10/03)

A series of highly potent thiourea inhibitors of cytomegalovirus (CMV) with improved stability properties was prepared and evaluated. Compound 29 inhibited the virus in cultured HFF cells with IC50 of 0.2nM.

Highly regioselective hydrogenolysis of bis(α-methylbenzyl)amine derivatives affected by the trifluoromethyl substituent on the aromatic ring

Kanai, Masatomi,Yasumoto, Manabu,Kuriyama, Yokusu,Inomiya, Kenjin,Katsuhara, Yutaka,Higashiyama, Kimio,Ishii, Akihiro

, p. 1007 - 1010 (2007/10/03)

(Matrix presented) The highly regioselective hydrogenolysis of bis(α-methylbenzyl)amine derivatives proceeded with influence not from the electronic effect but from the steric effect of the trifluoromethyl substituent on the aromatic ring to provide a practical asymmetric synthesis of trifluoromethyl-substituted α-phenylethylamines.

Optically active amines. 34.1 Application of the benzene chirality rule to ring-substituted phenylcarbinamines and carbinols

Pickard, Simeon T.,Smith, Howard E.

, p. 5741 - 5747 (2007/10/02)

The negative sign of the 1Lb, Cotton effects (CEs) from about 250 to 270 nm in the circular dichroism (CD) spectra of (R)-α-phenylethylamine and (R)-α-phenylethyl alcohol and other phenylalkylcarbinamines and carbinols is determined by vibronic borrowing from allowed transitions at shorter wavelength. On ring substitution, bond transition moments are induced in the benzene ring bonds adjacent to the attachment bond of the chiral group, resulting in enhanced coupling of the 1Lb transition with the chiral group. A sign reversal for the 1Lb, CEs on para substitution with an atom or group with a positive spectroscopic moment (C1, CH3) can be viewed as the overshadowing of the vibronic contribution by an induced contribution of opposite sign On para substitution with a group with a negative spectroscopic moment (CF3, CN), the sign of the 1Lb CEs is unchanged since the vibronic and induced contributions have the same sign. Meta substitution by an atom or group will result in bond moments in an opposite sense from that caused by the same atom or group in the para position. Thus on meta substitution by a group with a positive spectroscopic moment (C1, CH3), both the vibronic and induced contributions have the same sign, and the sign of the 1Lb CEs is the same as that of the unsubstituted parent. For meta substitution by a group with a negative spectroscopic moment (CF3, CN), the sign of the induced contribution is opposite to that of the vibronic contribution. In the case of CF3 and CN groups, the latter is more important than the former, and the sign of the 1Lb CEs is the same as that of the unsubstituted parent. Ortho substitution again reverses the sense of the induced bond transition moments from that induced by the same meta substituents. Thus, provided the position of the substituent and its spectroscopic moment are taken into account the absolute configuration of substituted phenylmethylcarbinamines and carbinols can often be assigned.

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