Cas no 104461-06-5 (2-tert-butylpyrimidine-5-carbaldehyde)

2-tert-Butylpyrimidine-5-carbaldehyde is a specialized organic compound featuring a pyrimidine core substituted with a tert-butyl group at the 2-position and a formyl group at the 5-position. This aldehyde derivative is valuable in synthetic chemistry as a versatile intermediate for constructing heterocyclic frameworks, particularly in pharmaceutical and agrochemical applications. Its tert-butyl substituent enhances steric hindrance, potentially improving selectivity in reactions, while the aldehyde functionality offers reactivity for condensation, nucleophilic addition, or further functionalization. The compound's well-defined structure makes it suitable for precise molecular design, particularly in the development of bioactive molecules or functional materials. It is typically handled under controlled conditions due to its reactive aldehyde group.

2-tert-butylpyrimidine-5-carbaldehyde structure

104461-06-5 structure

Product Name:2-tert-butylpyrimidine-5-carbaldehyde

CAS No:104461-06-5

MF:C₉H₁₂N₂O

MW:164.204381942749

MDL:MFCD09863201

CID:126220

PubChem ID:11205960

Update Time:2025-10-17

2-tert-butylpyrimidine-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

- 2-(tert-Butyl)pyrimidine-5-carbaldehyde
- 2-tert-butylpyrimidine-5-carbaldehyde
- 5-Pyrimidinecarboxaldehyde,2-(1,1-dimethylethyl)-
- 2-tert-Butylpyrimide-5-carbaldehyde
- 2-tert-butylpyrimidine-5-carbaldehyde(SALTDATA: FREE)
- 5-Pyrimidinecarboxaldehyde, 2-(1,1-dimethylethyl)- (9CI)
- AT18261
- BS-36986
- 2-tert-butylpyrimidine-5-carboxaldehyde
- 104461-06-5
- DTXSID60458644
- FT-0766743
- F9995-2549
- A18042
- EN300-205073
- MFCD09863201
- AKOS000284200
- 2-tert-Butylpyrimidine-5-carbaldehyde, AldrichCPR
- Z1013713964
- AB53778
- SCHEMBL7439427
- UYCUWGSMCUCDQS-UHFFFAOYSA-N
- DA-15991
- MDL： MFCD09863201
- Inchi： 1S/C9H12N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-6H,1-3H3
- InChI Key： UYCUWGSMCUCDQS-UHFFFAOYSA-N
- SMILES： O=CC1C=NC(C(C)(C)C)=NC=1

Computed Properties

Exact Mass: 164.09500
Monoisotopic Mass: 164.094963011g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 2
Complexity: 154
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.4
Topological Polar Surface Area: 42.8?2

Experimental Properties

Density: 1.064
Melting Point: Not available
Boiling Point: 245.7°C at 760 mmHg
Flash Point: 105.8°C
Refractive Index: 1.529
PSA: 42.85000
LogP: 1.58660
Vapor Pressure: Not available

2-tert-butylpyrimidine-5-carbaldehyde Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care
Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

2-tert-butylpyrimidine-5-carbaldehyde Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	B490628-25mg	2-tert-Butylpyrimidine-5-carbaldehyde	104461-06-5		25mg	$ 50.00	2022-06-07
TRC	B490628-50mg	2-tert-Butylpyrimidine-5-carbaldehyde	104461-06-5		50mg	$ 70.00	2022-06-07
TRC	B490628-250mg	2-tert-Butylpyrimidine-5-carbaldehyde	104461-06-5		250mg	$ 295.00	2022-06-07
Matrix Scientific	139105-1g	2-(tert-Butyl)pyrimidine-5-carbaldehyde, 95%+	104461-06-5	95%	1g	$436.00	2023-09-06
Matrix Scientific	139105-2.500g	2-(tert-Butyl)pyrimidine-5-carbaldehyde, 95%+	104461-06-5	95%	2.500g	$953.00	2023-09-06
Matrix Scientific	139105-5g	2-(tert-Butyl)pyrimidine-5-carbaldehyde, 95%+	104461-06-5	95%	5g	$1442.00	2023-09-06
Chemenu	CM126716-1g	2-(tert-butyl)pyrimidine-5-carbaldehyde	104461-06-5	95%	1g	$334	2021-08-05
Chemenu	CM126716-5g	2-(tert-butyl)pyrimidine-5-carbaldehyde	104461-06-5	95%	5g	$1186	2021-08-05
Ambeed	A459616-1g	2-(tert-Butyl)pyrimidine-5-carbaldehyde	104461-06-5	95+%	1g	$291.0	2024-04-26
Chemenu	CM126716-1g	2-(tert-butyl)pyrimidine-5-carbaldehyde	104461-06-5	95%	1g	$600	2023-02-19

2-tert-butylpyrimidine-5-carbaldehyde Suppliers

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(CAS:104461-06-5)2-(Tert-Butyl)pyrimidine-5-carbaldehyde

Order Number:NC8480

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Quantity:10g

Purity:97%

Pricing Information Last Updated:Friday, 18 July 2025 16:19

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