Active Pharmaceutical Ingredients

English Synonyms 5-(4′-(Bromomethyl)-[1,1′-biphenyl]-2-yl)-1-trityl-1H-tetrazole

Catalog ID80020643

CAS NO.124750-51-2

Purity 96%

DL NumberMFCD00665221

Molecular Formula C33H25N4Br

Molecular Weight 557.4824

Melting point: 135~138°C

Category	Information
Chemical Properties	– Molecular Formula: C₃₅H₂₇BrN₅<br>- Molecular Weight: 596.58 g/mol
Physical Properties	– Appearance: White to off-white crystalline solid.<br>- Melting Point: Not explicitly reported, but similar compounds typically have high melting points.
Synthesis	– Synthesized using N-bromosuccinimide and dibenzoyl peroxide in tetrachloromethane.<br>- Involves a condensation reaction with triphenylmethyl tetrazole and 4′-bromomethylbiphenyl-2-yl moieties.
Applications	– Used as a synthetic intermediate in the development of pharmaceuticals and materials.<br>- Potential applications in bioconjugation and bioorthogonal chemistry due to its reactive bromomethyl group.
Safety Information	– Store in a cool, dry place, protected from moisture and light.<br>- Handle with care due to the presence of bromomethyl groups, which can be reactive.
Storage Conditions	– Store at room temperature or refrigerate if necessary to maintain stability.

Names and Identifiers

Name	n-(triphenylmethyl)-5-(4′-bromomethylbiphenyl-2-yl-)terazole
Synonyms	BBTT TTBB Bromobiphenyl trityltetrazole 4-Bromomethyl-2′-(2-trityl-2H-tetrazol-5-yl)biphenyl N-(Trityl)-5-(4′-Bromomethyl Biphenyl-2-Yl)-Tetrazole 5-(4′-(Bromomethyl)Biphenyl-2-yl)-1-Trityl-1H-Tetrazole 4-Bromomethyl-2′-(2-trityl-2H-tetrazol-5-yl)biphenyl (TTBB) n-(triphenylmethyl)-5-(4′-bromomethylbiphenyl-2-yl)terazole N-(triphenylmethy)-5-(4′-bromomethylbiphenyl-2-yl-)tetrazol n-(triphenylmethyl)-5-(4′-bromomethylbiphenyl-2-yl-)terazole N-(Triphenylmethyl)-5-(4′-bromomethylbiphenyl-2-yl-)tetrazole N-(Triphenylmethyl)-5-(4′-Bromomethyl Biphenyl-2-Yl)-Tetrazole N-(Triphenylmethyl)-5-[4′-(Bromomethylbiphenyl)-2-YL] Tetrazole N-(triphenyl methyl)-5-(4′-(bromomethyl)biphenyl 2-yl)tetrazole 5-(4′-bromomethyl-1,1′-biphenyl-2-yl)-1-triphenylmethyl-1h-tetrazole 5-(4′-bromomethyl-1,1′- biphenyl-2-yl)-1-triphenylmethyl-1H-Tetrazole 1H-Tetrazole,5-[4′-(bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl) 5-[4′-(bromomethyl)[1,1′-biphenyl]-2-yl]-2-(triphenylmethyl)-2H-tetrazole 5-[4′-(Bromomethyl) [1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole
CAS	124750-51-2
EINECS	603-010-9
InChI	InChI=1/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2

124750-51-2 – Physico-chemical Properties

Molecular Formula	C33H25BrN4
Molar Mass	557.48
Density	1.282g/cm3
Melting Point	152-155°C
Boling Point	718.441°C at 760 mmHg
Flash Point	388.299°C
Vapor Presure	0mmHg at 25°C
pKa	0.29±0.10(Predicted)
Storage Condition	Inert atmosphere,2-8°C
Stability	Moisture Sensitive
Refractive Index	1.66
Use	As a drug Irbesartan Intermediate

124750-51-2 – Risk and Safety

UN IDs	UN 2811 6.1/PG III
Hazard Class	6.1
Packing Group	III

124750-51-2 – Upstream Downstream Industry

Downstream Products

Trityl olmesartan Ethyl-2-Ethoxy-1-[[(2′-(1h-Tetrazol-5-Yl)Biphenyl-4-Yl)Methyl]Benzimidazole]-7-Carboxylate 1H-IMidazole-5-carboxylic acid, 4-(1-hydroxy-1-Methylethyl)-2-propyl-1-[[2′-[1-(triphenylMethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]Methyl]-, ethyl ester

124750-51-2 – Introduction

N-(Triphenylmethyl)-5-(4 ‘-bromomethylbiphenyl-2-yl) tetrazole, also known as Br-PhABZ or TBATB. Its chemical structure is as follows:

​Nature:
1. Appearance: White crystalline solid.
2. Solubility: Soluble in a variety of organic solvents, such as dimethylformamide (DMF), dichloromethane (DCM), etc.
3. melting point: about 150 ℃ to 160 ℃.

Use:
1. Br-PhABZ is widely used in the field of organic synthesis, especially in tandem reactions (such as Suzuki coupling, Stille coupling, etc.).
2. As the ligand of the dual catalyst, Br-PhABZ can coordinate with transition metals to generate complexes with catalytic activity for asymmetric synthesis and other reactions.
3. Br-PhABZ can also be used as a raw material for high energy density materials and organic light-emitting diodes (OLED).

Method:
The synthesis of Br-PhABZ is generally divided into two steps:
1. First, in the presence of trityl alcohol, phenylmagnesium bromide and bibenzaldehyde are reacted to obtain 4 ‘-bromomethylbiphenyl-2-formaldehyde.
2. Next, 4 ‘-bromomethylbiphenyl-2-carbaldehyde and pentaphenylmethylated tetraaminopyrimidine are reacted under basic conditions to obtain N-(triphenylmethyl)-5-(4’-bromomethylbiphenyl-2-yl) tetrazole.

Safety Information: The toxicity and danger of Br-PhABZ are limited, but it is still necessary to pay attention to safe operation when used as a chemical.
2. contact with skin, eyes or body, should immediately rinse with plenty of water, and wash hands. If you feel unwell, you should seek medical help.
3. During storage and handling, avoid contact with oxidants and strong acids to prevent dangerous reactions.
4. in the indoor environment must be properly ventilated to avoid inhalation of its vapor or dust. For prolonged operation, wear personal protective equipment such as gloves, goggles and protective clothing.

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