Research chemical

tert-butyl 4-methylene-3,4-dihydroquinoline-1(2H)-carboxylate

CAS Number: 1000689-13-3

Product details

Identity & specification

Molecular formula: C15H19NO2
Molecular weight: 245.32 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

67367966

Exact Mass

245.141579

InChIKey

SODGKNMSOWLWHW-UHFFFAOYSA-N

IUPAC Name

tert-butyl 4-methylidene-2,3-dihydroquinoline-1-carboxylate

SMILES String

C=C1CCN(C(=O)OC(C)(C)C)c2ccccc21

Physical Properties

No physical property values available.

Show more physical data

XLogP

3.1

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

29.54 Å²

Computed LogP

3.85

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

tert-butyl 4-methylene-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 1000689-13-3) is listed in the Advanced Chemicals portfolio, with molecular formula C15H19NO2 and molecular weight 245. 32 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

SDS signal word: Warning; hazard codes: H315, H319; For research use only.

Applications & Classification

Organic Building Blocks Synthetic Chemistry Heterocyclic Building Blocks Research Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

and reaction activity.
carbon monoxide, carbon dioxide, nitrogen oxides.

Disposal

The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

Wear a self-contained breathing apparatus in firefighting situations.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

tert-Butyl4-methylene-3,4-dihydroquinoline-1(2H)-carboxylate1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-4-methylene-, 1,1-dimethylethyl ester4-Methylene-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester

External Identifiers

PUBCHEM CID: 67367966

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H315, H319

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P264, P280, P302+P352, P305+P351+P338, P332+P313, P337+P313, P362

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for tert-butyl 4-methylene-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 1000689-13-3)?

tert-butyl 4-methylene-3,4-dihydroquinoline-1(2H)-carboxylate is identified by CAS 1000689-13-3, with molecular formula C15H19NO2, molecular weight 245.32, InChIKey SODGKNMSOWLWHW-UHFFFAOYSA-N.

Can I request a COA for CAS 1000689-13-3?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for tert-butyl 4-methylene-3,4-dihydroquinoline-1(2H)-carboxylate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1000689-13-3 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.