Is 1-Allyltheobromine interchangeable with Theobromine or Caffeine?

No. 1-Allyltheobromine, CAS 2530-99-6, has an allyl substituent at the N1 position of the xanthine structure. Theobromine and Caffeine have different N-substitution patterns and are separate substances. Confirm the full structural name, CAS number and an appropriate identity result.

Which specifications should be set for 1-Allyltheobromine?

Define HPLC assay and method, positional N-allyl isomers, residual Theobromine, other methylxanthines, residual starting materials, residual solvents, water and appearance, with NMR or another agreed identity test. State the intended synthesis, quantity and package, and review the offered lot COA before approval.

1-Allyltheobromine CAS 2530-99-6

1-Allyltheobromine, CAS 2530-99-6, is 3,7-dimethyl-1-prop-2-enylpurine-2,6-dione with formula C₁₀H₁₂N₄O₂ and molecular weight 220.23 g/mol. It is a specialty xanthine derivative for research or controlled synthesis, not a general bulk pharmaceutical grade. Buyers should define HPLC assay, positional N-allyl isomers, residual theobromine, other methylxanthines, residual solvents, water, appearance and analytical identity.

CAS: 2530-99-6
Synonyms: 1-Allyltheobromine, N1-Allyltheobromine, Allyltheobromine, 1-Allyl-3,7-dimethylxanthine
Molecular Formula: C₁₀H₁₂N₄O₂
Grade: Confirm identity by an appropriate analytical method, assay basis, related substances, residual solvents and storage requirements against the current COA; buyer qualification is required.
Package: State required quantity and destination; confirm the current container, light or moisture protection, net weight, storage conditions and transport requirements against the current COA and SDS.

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Product Description

1 Identity and specification

2 Quality controls for purchasing

3 Applications and grade selection

4 Storage and handling

5 Documentation and quotation details

Identity and specification

Item	Verified purchasing information
Product	1-Allyltheobromine; N1-allyltheobromine
CAS	2530-99-6
Formula / molecular weight	C₁₀H₁₂N₄O₂ / 220.23 g/mol
Critical selection point	N1 substitution and positional-isomer control

1-Allyltheobromine is a defined N1-substituted xanthine. Correct positional identity is important because other N-allyl or methylxanthine compounds can share similar general composition but behave differently in research and synthesis.

Quality controls for purchasing

Confirm identity using suitable chromatographic and spectroscopic methods.
Set limits for positional N-allyl isomers, residual theobromine, related methylxanthines and unknown HPLC impurities.
Define water, residual solvents, appearance, particle form and storage or retest conditions.

Applications and grade selection

The material may be evaluated as a xanthine research compound or fine-chemical intermediate. This page does not make therapeutic or pharmacological claims. Researchers should qualify identity, purity and suitability within the intended experimental or synthesis protocol.

Storage and handling

Store in a tightly closed light- and moisture-protective package under the temperature stated by the supplier. Avoid incompatible oxidizers and uncontrolled dust. Follow the SDS and institutional laboratory handling requirements.

Documentation and quotation details

State HPLC assay, positional-isomer and related-substance limits, residual solvents, water, amount, package, destination and schedule. Request a representative COA, SDS and analytical data or sample for qualification.

FAQ - Technical & Supply Chain

Q:
Is 1-Allyltheobromine interchangeable with Theobromine or Caffeine?

A: No. 1-Allyltheobromine, CAS 2530-99-6, has an allyl substituent at the N1 position of the xanthine structure. Theobromine and Caffeine have different N-substitution patterns and are separate substances. Confirm the full structural name, CAS number and an appropriate identity result.
Q:
Which specifications should be set for 1-Allyltheobromine?

A: Define HPLC assay and method, positional N-allyl isomers, residual Theobromine, other methylxanthines, residual starting materials, residual solvents, water and appearance, with NMR or another agreed identity test. State the intended synthesis, quantity and package, and review the offered lot COA before approval.

Ordering & Documentation

Key information for document requests, quotations, and supply planning.

Documents

COA, TDS, SDS/MSDS and packing details are available on request.

Quotation

Send the CAS number, grade, quantity, packing preference and destination.

Sample & Supply

Support is available for samples, trial orders, bulk and repeat supply.

Storage & Shipping

Product-specific conditions are confirmed before order.

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